RefChem:377250
TL;DR: RefChem:377250 (CAS 53149-40-9) is a chemical compound with molecular formula C22H18Cl2N4O2 and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pyridin-1-ium-4-carboxamide chloride
Also Known As: Pyridinium, 4-carbamoyl-1-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-, chloride, 4-carbamoyl-1-(7-chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-3-yl)pyridinium chloride, 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pyridin-1-ium-4-carboxamide chloride, 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pyridin-1-ium-4-carboxamide,chloride, 4-CARBAMOYL-1-(7-CHLORO-2,3-DIHYDRO-1-METHYL-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPIN-3-YL)PYRIDINIUM CHLORIDE
| Molecular Formula | C22H18Cl2N4O2 |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | -0.26 |
| Topological Polar Surface Area | 79.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.0807 |
| Heavy Atoms | 30 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 53149-40-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)[N+]3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4.[Cl-] |
| InChIKey | XKBWIZLELLNISH-UHFFFAOYSA-N |
Product Overview
RefChem:377250 (CAS 53149-40-9), with molecular formula C22H18Cl2N4O2 and molecular weight 440.08 g/mol. IUPAC: 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)pyridin-1-ium-4-carboxamide chloride.
Chemical Property Profile of RefChem:377250
Property Insights of RefChem:377250
The XLogP value of -0.26 indicates that RefChem:377250 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377250. Following Lipinski's Rule of Five, RefChem:377250 has 1 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:377250?
The CAS number of RefChem:377250 is 53149-40-9.
What is the molecular formula of RefChem:377250?
The molecular formula of RefChem:377250 is C22H18Cl2N4O2.
What is the molecular weight of RefChem:377250?
The molecular weight of RefChem:377250 is 440.08 g/mol.
Where can I buy RefChem:377250?
You can request a quote for RefChem:377250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377250?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.