In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 17 | Yes |
Popular Name: Oxybenzone Oxybenzone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 131-57-7 , [131-57-7]
(2-hydroxy-4-methoxyphenyl)(phenyl)methanone
(2-Hydroxy-4-methoxyphenyl)phenylmethanone
131-57-7; 2-Hydroxy-4-methoxybenzophenone; C14285; Oxybenzone
131-57-7; D05309; Oxybenzone (USP/INN); Uvinul 40 (TN)
2-HYDROXY-4-METHOXYBENZOPHENONE
2-Hydroxy-4-methoxybenzophenone, 98%
2-Hydroxy-4-methoxybenzophenone, 98+%
2-Hydroxy-4-methoxybenzophenone, 99%+
4-Methoxy-2-hydroxybenzophenone
4-Methoxy-2-hydroxybenzophenone butyric acid
methanone, (2-hydroxy-4-methoxyphenyl)phenyl-
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.37 | 4.46 | -8.1 | 1 | 3 | 0 | 47 | 228.247 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.37 | 5.24 | -49.88 | 0 | 3 | -1 | 49 | 227.239 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.28e-01 g/l | DrugBank-approved |
BP [°C] | 150 - 160 (p=5 torr) | Acros Organics |
Melting_Point | 62-65? | Alfa-Aesar |
Melting_Point | 62-65° | Alfa-Aesar |
MP | 63 | TCI |
MP | 63 - 65 | Enamine Building Blocks |
MP | 63...65 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
Purity | 99% | APIChem |
Mp [°C] | >62.5 | Acros Organics |
Boiling_Point | ca 150?/5mm | Alfa-Aesar |
Boiling_Point | ca 150°/5mm | Alfa-Aesar |
S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
Therapy | ultraviolet screen | SMDC Iconix |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
LIPS-2-E | Hormone Sensitive Lipase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3250 | 0.45 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
LIPS_RAT | P15304 | Hormone-sensitive Lipase, Rat | 3250 | 0.45 | Binding ≤ 10μM |