7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid
TL;DR: 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid (CAS 5606-59-7) is a chemical compound with molecular formula C17H14ClN3O2 and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-N-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
Also Known As: 1-Methylcarbamoyldiazepam, 5-25-08-00123 (Beilstein Handbook Reference), 1H-1,4-Benzodiazepine-3-carboxamide, 2,3-dihydro-7-chloro-N-methyl-2-oxo-5-phenyl-, 7-Chloro-2,3-dihydro-N-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxamide, 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid
| Molecular Formula | C17H14ClN3O2 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.07745 |
| Heavy Atoms | 23 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 5606-59-7 |
|---|---|
| SMILES | CNC(=O)C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 |
| InChIKey | MTEDNDAJJUTGNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid (CAS 5606-59-7), with molecular formula C17H14ClN3O2 and molecular weight 327.08 g/mol. IUPAC: 7-chloro-N-methyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide.
Chemical Property Profile of 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid
Property Insights of 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid
The XLogP value of 3.0 indicates that 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid. Following Lipinski's Rule of Five, 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid has 2 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-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid?
The CAS number of 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid is 5606-59-7.
What is the molecular formula of 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid?
The molecular formula of 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid is C17H14ClN3O2.
What is the molecular weight of 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid?
The molecular weight of 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid is 327.08 g/mol.
Where can I buy 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid?
You can request a quote for 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-2-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepine-3-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.