J2.003.014C
TL;DR: J2.003.014C (CAS 568567-39-5) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]propanoic acid
Also Known As: J2.003.014C, 2-[({10-cyano-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaen-11-yl}methyl)sulfanyl]propanoic acid, 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]propanoic acid, 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylthio]propanoic acid, 2-(4-Cyano-1-oxo-1,5-dihydro-benzo[4,5]imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)-propionic acid
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.35878 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 1012.98584 |
Chemical Identifiers
| CAS Number | 568567-39-5 |
|---|---|
| SMILES | CC(C(=O)O)SCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N |
Product Overview
J2.003.014C (CAS 568567-39-5), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: 2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]propanoic acid.
Chemical Property Profile of J2.003.014C
Property Insights of J2.003.014C
The XLogP value of 2.35878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.003.014C. The TPSA of 98.36 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.003.014C. Following Lipinski's Rule of Five, J2.003.014C has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J2.003.014C?
The CAS number of J2.003.014C is 568567-39-5.
What is the molecular formula of J2.003.014C?
The molecular formula of J2.003.014C is C16H13N3O3S.
What is the molecular weight of J2.003.014C?
The molecular weight of J2.003.014C is 327.07 g/mol.
Where can I buy J2.003.014C?
You can request a quote for J2.003.014C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.003.014C?
Yes, KEHONG BIO provides custom synthesis services for J2.003.014C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.