CBKinase1_009822
TL;DR: CBKinase1_009822 (CAS 714212-16-5) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid
Also Known As: CBKinase1_009822, CBKinase1_022222, BAS 07436277, 3-(4-cyano-3-methyl-1-oxo-1,5-dihydrobenzo[4,5]imidazo[1,2-a]pyridin-2-yl)propanoic acid, 3-(4-cyano-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-2-yl)propanoic acid
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 1.9781 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 1005.2965 |
Chemical Identifiers
| CAS Number | 714212-16-5 |
|---|---|
| SMILES | CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCC(=O)O |
Product Overview
CBKinase1_009822 (CAS 714212-16-5), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: 3-(4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid.
Chemical Property Profile of CBKinase1_009822
Property Insights of CBKinase1_009822
The XLogP value of 1.9781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_009822. The TPSA of 98.36 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009822. Following Lipinski's Rule of Five, CBKinase1_009822 has 2 hydrogen bond donor(s) and 3 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 CBKinase1_009822?
The CAS number of CBKinase1_009822 is 714212-16-5.
What is the molecular formula of CBKinase1_009822?
The molecular formula of CBKinase1_009822 is C16H13N3O3.
What is the molecular weight of CBKinase1_009822?
The molecular weight of CBKinase1_009822 is 295.10 g/mol.
Where can I buy CBKinase1_009822?
You can request a quote for CBKinase1_009822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009822?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.