RefChem:1074393
TL;DR: RefChem:1074393 (CAS 52995-68-3) is a chemical compound with molecular formula C20H18Cl2N4O and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-(3-ethylimidazol-3-ium-1-yl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride
Also Known As: 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride, 7-Chloro-3-(3-ethyl-1H-imidazol-3-ium-1-yl)-5-phenyl-3H-1,4-benzodiazepin-2-olate--hydrogen chloride (1/1), 7-chloro-3-(3-ethylimidazol-3-ium-1-yl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride, RefChem:1074393
| Molecular Formula | C20H18Cl2N4O |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 0.4412 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.08575 |
| Heavy Atoms | 27 |
| Complexity | 998.22614 |
Chemical Identifiers
| CAS Number | 52995-68-3 |
|---|---|
| SMILES | CC[N+]1=CN(C=C1)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4.[Cl-] |
Product Overview
RefChem:1074393 (CAS 52995-68-3), with molecular formula C20H18Cl2N4O and molecular weight 400.09 g/mol. IUPAC: 7-chloro-3-(3-ethylimidazol-3-ium-1-yl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride.
Chemical Property Profile of RefChem:1074393
Property Insights of RefChem:1074393
The XLogP value of 0.4412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074393. With a topological polar surface area (TPSA) of 50.27 Ų, RefChem:1074393 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1074393 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:1074393?
The CAS number of RefChem:1074393 is 52995-68-3.
What is the molecular formula of RefChem:1074393?
The molecular formula of RefChem:1074393 is C20H18Cl2N4O.
What is the molecular weight of RefChem:1074393?
The molecular weight of RefChem:1074393 is 400.09 g/mol.
Where can I buy RefChem:1074393?
You can request a quote for RefChem:1074393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1074393?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1074393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.