7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione
TL;DR: 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione (CAS 34099-70-2) is a chemical compound with molecular formula C15H11BrN2S and molecular weight 329.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione
Also Known As: 7-Bromo-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-thione, 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione, 7-Bromo-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepine-2-thione, 7-bromo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione, 7-bromo-5-phenyl-1H-benzo[e][1,4]diazepine-2(3H)-thione
| Molecular Formula | C15H11BrN2S |
|---|---|
| Molecular Weight | 329.98 g/mol |
| LogP | 4.0394 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.98264 |
| Heavy Atoms | 19 |
| Complexity | 665.1007 |
Chemical Identifiers
| CAS Number | 34099-70-2 |
|---|---|
| SMILES | C1C(=S)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3 |
Product Overview
7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione (CAS 34099-70-2), with molecular formula C15H11BrN2S and molecular weight 329.98 g/mol. IUPAC: 7-bromo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione.
Chemical Property Profile of 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione
Property Insights of 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione
The XLogP value of 4.0394 indicates that 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione has 1 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-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione?
The CAS number of 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione is 34099-70-2.
What is the molecular formula of 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione?
The molecular formula of 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione is C15H11BrN2S.
What is the molecular weight of 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione?
The molecular weight of 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione is 329.98 g/mol.
Where can I buy 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione?
You can request a quote for 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.