RefChem:377177
TL;DR: RefChem:377177 (CAS 52995-06-9) is a chemical compound with molecular formula C21H15Cl3N4O2 and molecular weight 460.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-3-carboxamide chloride
Also Known As: Pyridinium, 3-carbamoyl-1-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-, chloride, 3-carbamoyl-1-[7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1h-1,4-benzodiazepin-3-yl]pyridinium chloride, 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-3-carboxamide chloride, 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-3-carboxamide,chloride, 3-CARBAMOYL-1-(7-CHLORO-5-(2-CHLOROPHENYL)-2,3-DIHYDRO-2-OXO-1H-1,4-BENZODIAZEPIN-3-YL)PYRIDINIUM CHLORIDE
| Molecular Formula | C21H15Cl3N4O2 |
|---|---|
| Molecular Weight | 460.03 g/mol |
| LogP | 0.37 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.02606 |
| Heavy Atoms | 30 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 52995-06-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)[N+]4=CC=CC(=C4)C(=O)N)Cl.[Cl-] |
| InChIKey | CSWDSRGWVHVGBE-UHFFFAOYSA-N |
Product Overview
RefChem:377177 (CAS 52995-06-9), with molecular formula C21H15Cl3N4O2 and molecular weight 460.03 g/mol. IUPAC: 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-3-carboxamide chloride.
Chemical Property Profile of RefChem:377177
Property Insights of RefChem:377177
The XLogP value of 0.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:377177. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377177. Following Lipinski's Rule of Five, RefChem:377177 has 2 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 RefChem:377177?
The CAS number of RefChem:377177 is 52995-06-9.
What is the molecular formula of RefChem:377177?
The molecular formula of RefChem:377177 is C21H15Cl3N4O2.
What is the molecular weight of RefChem:377177?
The molecular weight of RefChem:377177 is 460.03 g/mol.
Where can I buy RefChem:377177?
You can request a quote for RefChem:377177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377177?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.