| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 17 | Yes |
Popular Name: 2-(4-Methoxy-benzenesulfonylamino)-propionic acid 2-(4-Methoxy-benzenesulfonylamin…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 59724-73-1 , 85622-69-1 , [59724-73-1] , [85622-69-1 ]
(2S)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid
2-([(4-methoxyphenyl)sulfonyl]amino)propanoic acid
2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid
2-{[(4-methoxyphenyl)sulfonyl]amino}propanoicacid
METHOXYPHENYLSULFONYLAMINOPROPANOICACI
N-[(4-methoxyphenyl)sulfonyl]-D-alanine
| 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) | -0.82 | 1.38 | -47.5 | 1 | 6 | -1 | 96 | 258.275 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 129-131° | Matrix Scientific |
| melting_point | 138 - 141 | KeyOrganics |
| ALOGPS_SOLUBILITY | 2.67e+00 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO1998046599A1 | IBM Patent Data |
