3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide
TL;DR: 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide (CAS 3864-80-0) is a chemical compound with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-N-cyclopropyl-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine
Also Known As: 5-25-11-00432 (Beilstein Handbook Reference), 3H-1,4-BENZODIAZEPINE, 7-CHLORO-2-(CYCLOPROPYLAMINO)-5-PHENYL-, 4-OXIDE, 7-Chloro-2-(cyclopropylamino)-5-phenyl-3H-1,4-benzodiazepine-4-oxide, 7-chloro-N-cyclopropyl-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine, 7-chloro-2-(cyclopropylamino)-5-phenyl-3H-1,4-benzodiazepin-4-ium-4-olate
| Molecular Formula | C18H16ClN3O |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 48.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.09818 |
| Heavy Atoms | 23 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 3864-80-0 |
|---|---|
| SMILES | C1CC1N=C2CN(C(=C3C=C(C=CC3=N2)Cl)C4=CC=CC=C4)O |
| InChIKey | QECSPPXFEOFBEI-UHFFFAOYSA-N |
Product Overview
3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide (CAS 3864-80-0), with molecular formula C18H16ClN3O and molecular weight 325.10 g/mol. IUPAC: 7-chloro-N-cyclopropyl-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine.
Chemical Property Profile of 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide
Property Insights of 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide. With a topological polar surface area (TPSA) of 48.2 Ų, 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide 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 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide?
The CAS number of 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide is 3864-80-0.
What is the molecular formula of 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide?
The molecular formula of 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide is C18H16ClN3O.
What is the molecular weight of 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide?
The molecular weight of 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide is 325.10 g/mol.
Where can I buy 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide?
You can request a quote for 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,4-Benzodiazepine, 7-chloro-2-(cyclopropylamino)-5-phenyl-, 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.