RefChem:377015
TL;DR: RefChem:377015 (CAS 52995-75-2) is a chemical compound with molecular formula C25H23Cl3N4O2 and molecular weight 516.09 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]-N,N-diethylpyridin-1-ium-3-carboxamide chloride
Also Known As: KST-1B5054, Pyridinium, 1-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-3-(diethylcarbamoyl)-, chloride, 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1h-1,4-benzodiazepin-3-yl]-3-(diethylcarbamoyl)pyridinium chloride, 1-(7-CHLORO-5-(2-CHLOROPHENYL)-2,3-DIHYDRO-2-OXO-1H-1,4-BENZODIAZEPIN-3-YL)-3-(DIETHYLCARBAMOYL)PYRIDINIUM CHLORIDE, 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-N,N-diethylpyridin-1-ium-3-carboxamide chloride
| Molecular Formula | C25H23Cl3N4O2 |
|---|---|
| Molecular Weight | 516.09 g/mol |
| LogP | 1.76 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.0887 |
| Heavy Atoms | 34 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 52995-75-2 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C[N+](=CC=C1)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4Cl.[Cl-] |
| InChIKey | QJCVXZRHWVDFSB-UHFFFAOYSA-N |
Product Overview
RefChem:377015 (CAS 52995-75-2), with molecular formula C25H23Cl3N4O2 and molecular weight 516.09 g/mol. IUPAC: 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-N,N-diethylpyridin-1-ium-3-carboxamide chloride.
Chemical Property Profile of RefChem:377015
Property Insights of RefChem:377015
The XLogP value of 1.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:377015. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377015. Following Lipinski's Rule of Five, RefChem:377015 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:377015?
The CAS number of RefChem:377015 is 52995-75-2.
What is the molecular formula of RefChem:377015?
The molecular formula of RefChem:377015 is C25H23Cl3N4O2.
What is the molecular weight of RefChem:377015?
The molecular weight of RefChem:377015 is 516.09 g/mol.
Where can I buy RefChem:377015?
You can request a quote for RefChem:377015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377015?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.