7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol
TL;DR: 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol (CAS 77414-11-0) is a chemical compound with molecular formula C18H15ClN2O2 and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-phenyl-3-prop-2-enyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
Also Known As: 7-Chloro-3-phenyl-3-(2-propenyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-chloro-3-phenyl-3-(2-propenyl)-, 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol, 7-chloro-3-phenyl-3-prop-2-enyl-1,5-dihydro-1,5-benzodiazepi, 7-chloro-3-phenyl-3-prop-2-enyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
| Molecular Formula | C18H15ClN2O2 |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 3.7447 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0822 |
| Heavy Atoms | 23 |
| Complexity | 788.8635 |
Chemical Identifiers
| CAS Number | 77414-11-0 |
|---|---|
| SMILES | C=CCC1(C(=O)NC2=C(C=C(C=C2)Cl)NC1=O)C3=CC=CC=C3 |
Product Overview
7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol (CAS 77414-11-0), with molecular formula C18H15ClN2O2 and molecular weight 326.08 g/mol. IUPAC: 7-chloro-3-phenyl-3-prop-2-enyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
Chemical Property Profile of 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol
Property Insights of 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol
The XLogP value of 3.7447 indicates that 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol has 2 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 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol?
The CAS number of 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol is 77414-11-0.
What is the molecular formula of 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol?
The molecular formula of 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol is C18H15ClN2O2.
What is the molecular weight of 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol?
The molecular weight of 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol is 326.08 g/mol.
Where can I buy 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol?
You can request a quote for 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-phenyl-3-(prop-2-en-1-yl)-3H-1,5-benzodiazepine-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.