CGS-27023 hydrochlorideProduct ingredient for CGS-27023
- Name
- CGS-27023 hydrochloride
- Drug Entry
- CGS-27023
- Accession Number
- DBSALT002934
- Structure
Structure for CGS-27023 hydrochloride (DBSALT002934)
- Synonyms
- Not Available
- External IDs
- CGS-27023A / MMI-270B / MMI270B
- UNII
- BS0VY94Q43
- CAS Number
- 169799-04-6
- Weight
- Average: 429.92
Monoisotopic: 429.1125198 - Chemical Formula
- C18H24ClN3O5S
- InChI Key
- ZVYIZSNCEAHMCF-UNTBIKODSA-N
- InChI
- InChI=1S/C18H23N3O5S.ClH/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16;/h4-11,13,17,23H,12H2,1-3H3,(H,20,22);1H/t17-;/m1./s1
- IUPAC Name
- (2R)-N-hydroxy-3-methyl-2-{N-[(pyridin-3-yl)methyl]4-methoxybenzenesulfonamido}butanamide hydrochloride
- SMILES
- Cl.COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)[C@H](C(C)C)C(=O)NO
- External Links
- ChemSpider
- 8064568
- ChEMBL
- CHEMBL514138
- Predicted Properties
Property Value Source Water Solubility 0.0525 mg/mL ALOGPS logP 1.02 ALOGPS logP 1.5 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 8.71 Chemaxon pKa (Strongest Basic) 4.81 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 108.83 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 100.09 m3·mol-1 Chemaxon Polarizability 39.17 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon