1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride
TL;DR: 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride (CAS 52995-69-4) is a chemical compound with molecular formula C21H20Cl2N4O and molecular weight 414.10 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)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride
Also Known As: 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride, 1-(7-Chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-3-ethyl-1H-imidazol-3-ium chloride, 7-chloro-3-(3-ethylimidazol-3-ium-1-yl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride, RefChem:1054557
| Molecular Formula | C21H20Cl2N4O |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 0.4655 |
| Topological Polar Surface Area | 41.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.1014 |
| Heavy Atoms | 28 |
| Complexity | 1029.8947 |
Chemical Identifiers
| CAS Number | 52995-69-4 |
|---|---|
| SMILES | CC[N+]1=CN(C=C1)C2C(=O)N(C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C.[Cl-] |
Product Overview
1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride (CAS 52995-69-4), with molecular formula C21H20Cl2N4O and molecular weight 414.10 g/mol. IUPAC: 7-chloro-3-(3-ethylimidazol-3-ium-1-yl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride.
Chemical Property Profile of 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride
Property Insights of 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride
The XLogP value of 0.4655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride. With a topological polar surface area (TPSA) of 41.48 Ų, 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride has 0 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 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride?
The CAS number of 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride is 52995-69-4.
What is the molecular formula of 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride?
The molecular formula of 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride is C21H20Cl2N4O.
What is the molecular weight of 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride?
The molecular weight of 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride is 414.10 g/mol.
Where can I buy 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride?
You can request a quote for 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazolium, 3-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-1-ethyl-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.