RefChem:377272
TL;DR: RefChem:377272 (CAS 112634-66-9) is a chemical compound with molecular formula C22H16ClFN2O4 and molecular weight 426.07828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C22H16ClFN2O4 |
| Molecular Weight | 426.07828 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.07828 Da |
| Heavy Atoms | 30 |
| Complexity | 824.0 |
| SMILES | COC1=C(C(=O)N2C(=C1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F)C(=O)OC |
| InChIKey | FRGLJLIEIRXHHC-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:377272
Property Insights of RefChem:377272
The XLogP value of 3.5 indicates that RefChem:377272 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:377272. Following Lipinski's Rule of Five, RefChem:377272 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 426.07828 g/mol.
Where can I buy RefChem:377272?
You can request a quote for RefChem:377272 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:377272?
Yes, CoreyChem provides custom synthesis services for RefChem:377272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.