RefChem:377272
TL;DR: RefChem:377272 (CAS 112634-66-9) is a chemical compound with molecular formula C22H16ClFN2O4 and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-5H-pyrido[1,2-a][1,4]benzodiazepine-2-carboxylate
Also Known As: Pyrido(1,2-a)(1,4)benzodiazepine-2-carboxylic acid, 1,5-dihydro-9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester, Methyl 9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-1,5-dihydropyrido[1,2-a][1,4]benzodiazepine-2-carboxylate, methyl 9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-5H-pyrido[1,2-a][1,4]benzodiazepine-2-carboxylate, RefChem:377272
| Molecular Formula | C22H16ClFN2O4 |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 3.7762 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.07828 |
| Heavy Atoms | 30 |
| Complexity | 1266.4778 |
Chemical Identifiers
| CAS Number | 112634-66-9 |
|---|---|
| SMILES | COC1=C(C(=O)N2C(=C1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F)C(=O)OC |
Product Overview
RefChem:377272 (CAS 112634-66-9), with molecular formula C22H16ClFN2O4 and molecular weight 426.08 g/mol. IUPAC: methyl 9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-5H-pyrido[1,2-a][1,4]benzodiazepine-2-carboxylate.
Chemical Property Profile of RefChem:377272
Property Insights of RefChem:377272
The XLogP value of 3.7762 indicates that RefChem:377272 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.89 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377272. Following Lipinski's Rule of Five, RefChem:377272 has 0 hydrogen bond donor(s) and 5 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:377272?
The CAS number of RefChem:377272 is 112634-66-9.
What is the molecular formula of RefChem:377272?
The molecular formula of RefChem:377272 is C22H16ClFN2O4.
What is the molecular weight of RefChem:377272?
The molecular weight of RefChem:377272 is 426.08 g/mol.
Where can I buy RefChem:377272?
You can request a quote for RefChem:377272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377272?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.