RefChem:1058089
TL;DR: RefChem:1058089 (CAS 52995-67-2) is a chemical compound with molecular formula C20H17Cl3N4O and molecular weight 434.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(2-chlorophenyl)-3-(3-ethylimidazol-3-ium-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one chloride
Also Known As: 1H-Imidazolium, 3-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride, 7-chloro-5-(2-chlorophenyl)-3-(3-ethylimidazol-3-ium-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one chloride, RefChem:1058089
| Molecular Formula | C20H17Cl3N4O |
|---|---|
| Molecular Weight | 434.05 g/mol |
| LogP | 1.0946 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.04678 |
| Heavy Atoms | 28 |
| Complexity | 1061.1093 |
Chemical Identifiers
| CAS Number | 52995-67-2 |
|---|---|
| SMILES | CC[N+]1=CN(C=C1)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4Cl.[Cl-] |
Product Overview
RefChem:1058089 (CAS 52995-67-2), with molecular formula C20H17Cl3N4O and molecular weight 434.05 g/mol. IUPAC: 7-chloro-5-(2-chlorophenyl)-3-(3-ethylimidazol-3-ium-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one chloride.
Chemical Property Profile of RefChem:1058089
Property Insights of RefChem:1058089
The XLogP value of 1.0946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058089. With a topological polar surface area (TPSA) of 50.27 Ų, RefChem:1058089 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058089 has 1 hydrogen bond donor(s) and 2 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:1058089?
The CAS number of RefChem:1058089 is 52995-67-2.
What is the molecular formula of RefChem:1058089?
The molecular formula of RefChem:1058089 is C20H17Cl3N4O.
What is the molecular weight of RefChem:1058089?
The molecular weight of RefChem:1058089 is 434.05 g/mol.
Where can I buy RefChem:1058089?
You can request a quote for RefChem:1058089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058089?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.