RefChem:377271
TL;DR: RefChem:377271 (CAS 112634-65-8) is a chemical compound with molecular formula C22H18ClFN2O4 and molecular weight 428.09 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-4a,5-dihydro-4H-pyrido[1,2-a][1,4]benzodiazepine-2-carboxylate
Also Known As: Pyrido(1,2-a)(1,4)benzodiazepine-2-carboxylic acid, 1,4,4a,5-tetrahydro-9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-, methyl ester, Methyl 9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-1,4,4a,5-tetrahydropyrido[1,2-a][1,4]benzodiazepine-2-carboxylate, methyl 9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-4a,5-dihydro-4H-pyrido[1,2-a][1,4]benzodiazepine-2-carboxylate, BRN 5167086, RefChem:377271
| Molecular Formula | C22H18ClFN2O4 |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 3.5089 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.0939 |
| Heavy Atoms | 30 |
| Complexity | 1112.0664 |
Chemical Identifiers
| CAS Number | 112634-65-8 |
|---|---|
| SMILES | COC1=C(C(=O)N2C(C1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F)C(=O)OC |
Product Overview
RefChem:377271 (CAS 112634-65-8), with molecular formula C22H18ClFN2O4 and molecular weight 428.09 g/mol. IUPAC: methyl 9-chloro-7-(2-fluorophenyl)-3-methoxy-1-oxo-4a,5-dihydro-4H-pyrido[1,2-a][1,4]benzodiazepine-2-carboxylate.
Chemical Property Profile of RefChem:377271
Property Insights of RefChem:377271
The XLogP value of 3.5089 indicates that RefChem:377271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377271. Following Lipinski's Rule of Five, RefChem:377271 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:377271?
The CAS number of RefChem:377271 is 112634-65-8.
What is the molecular formula of RefChem:377271?
The molecular formula of RefChem:377271 is C22H18ClFN2O4.
What is the molecular weight of RefChem:377271?
The molecular weight of RefChem:377271 is 428.09 g/mol.
Where can I buy RefChem:377271?
You can request a quote for RefChem:377271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377271?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.