RefChem:447418
TL;DR: RefChem:447418 (CAS 730248-95-0) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoic acid
Also Known As: 2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaen-13-yl}sulfanyl)propanoic acid, 2-(4-Cyano-3-methyl-benzo[4,5]imidazo[1,2-a]pyridin-1-ylsulfanyl)-propionic acid, 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoic acid, 2-({10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2(7),3,5,8,10,12-hexaen-13-yl}sulfanyl)propanoic acid, 2-((10-cyano-11-methyl-1,8-diazatricyclo(7.4.0.0,2,7)trideca-2,4,6,8,10,12-hexaen-13-yl)sulfanyl)propanoic acid
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 3.2328 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 939.8498 |
Chemical Identifiers
| CAS Number | 730248-95-0 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SC(C)C(=O)O)C#N |
Product Overview
RefChem:447418 (CAS 730248-95-0), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoic acid.
Chemical Property Profile of RefChem:447418
Property Insights of RefChem:447418
The XLogP value of 3.2328 indicates that RefChem:447418 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:447418. Following Lipinski's Rule of Five, RefChem:447418 has 1 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 RefChem:447418?
The CAS number of RefChem:447418 is 730248-95-0.
What is the molecular formula of RefChem:447418?
The molecular formula of RefChem:447418 is C16H13N3O2S.
What is the molecular weight of RefChem:447418?
The molecular weight of RefChem:447418 is 311.07 g/mol.
Where can I buy RefChem:447418?
You can request a quote for RefChem:447418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:447418?
Yes, KEHONG BIO provides custom synthesis services for RefChem:447418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.