7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione
TL;DR: 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione (CAS 258849-86-4) is a chemical compound with molecular formula C15H19ClN2S and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepine-2-thione
Also Known As: 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione, 2H-1,4-Benzodiazepine-2-thione, 7-chloro-1,3,4,5-tetrahydro-3-methyl-4-(3-methyl-2-butenyl)-, 7-chloro-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepine-2-thione, 2H-1,4-Benzodiazepine-2-thione,7-chloro-1,3,4,5-tetrahydro-3-methyl-4-(3-methyl-2-buten-1-yl)-, 7-Chloro-3-methyl-4-(3-methylbut-2-en-1-yl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepine-2-thione
| Molecular Formula | C15H19ClN2S |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 4.2496 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.09573 |
| Heavy Atoms | 19 |
| Complexity | 520.8769 |
Chemical Identifiers
| CAS Number | 258849-86-4 |
|---|---|
| SMILES | CC1C(=S)NC2=C(CN1CC=C(C)C)C=C(C=C2)Cl |
Product Overview
7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione (CAS 258849-86-4), with molecular formula C15H19ClN2S and molecular weight 294.10 g/mol. IUPAC: 7-chloro-3-methyl-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepine-2-thione.
Chemical Property Profile of 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione
Property Insights of 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione
The XLogP value of 4.2496 indicates that 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-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 15.27 Ų, 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-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-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione?
The CAS number of 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione is 258849-86-4.
What is the molecular formula of 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione?
The molecular formula of 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione is C15H19ClN2S.
What is the molecular weight of 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione?
The molecular weight of 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione is 294.10 g/mol.
Where can I buy 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione?
You can request a quote for 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-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-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-methyl-4-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-1,4-benzodiazepine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.