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Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate
TL;DR: Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate (CAS 329709-13-9) is a chemical compound with molecular formula C18H16ClN3O2 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate
Also Known As: ChemDiv3_003718, BAS 00715814, IDI1_021628, ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate, F1092-0253
| Molecular Formula | C18H16ClN3O2 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.0931 |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 329709-13-9 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)Cl |
| InChIKey | ATAZCTLDJCYJFD-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate (CAS 329709-13-9), with molecular formula C18H16ClN3O2 and molecular weight 341.09 g/mol. IUPAC: ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate.
Chemical Property Profile of Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate
Property Insights of Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate
The XLogP value of 4.7 indicates that Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate has 0 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 Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate?
The CAS number of Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate is 329709-13-9.
What is the molecular formula of Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate?
The molecular formula of Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate is C18H16ClN3O2.
What is the molecular weight of Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate?
The molecular weight of Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate is 341.09 g/mol.
Where can I buy Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate?
You can request a quote for Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1-chloro-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.