7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one
TL;DR: 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one (CAS 56875-80-0) is a chemical compound with molecular formula C17H15ClN2O3 and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one
Also Known As: J1.577.663C, 7-Chloro-1,3-dihydro-1-(2-hydroxyethyl)-5-phenyl-2H-1,4-benzodiazepine-2-one 4-oxide, 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one, 7-chloro-1-(2-hydroxyethyl)-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-4-ium-4-olate
| Molecular Formula | C17H15ClN2O3 |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 2.0266 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.07712 |
| Heavy Atoms | 23 |
| Complexity | 774.6629 |
Chemical Identifiers
| CAS Number | 56875-80-0 |
|---|---|
| SMILES | C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3)CCO |
Product Overview
7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one (CAS 56875-80-0), with molecular formula C17H15ClN2O3 and molecular weight 330.08 g/mol. IUPAC: 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one.
Chemical Property Profile of 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one
Property Insights of 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one
The XLogP value of 2.0266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one. The TPSA of 66.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one. Following Lipinski's Rule of Five, 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one has 1 hydrogen bond donor(s) and 3 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 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one?
The CAS number of 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one is 56875-80-0.
What is the molecular formula of 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one?
The molecular formula of 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one is C17H15ClN2O3.
What is the molecular weight of 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one?
The molecular weight of 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one is 330.08 g/mol.
Where can I buy 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one?
You can request a quote for 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-1-(2-hydroxyethyl)-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.