4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione
TL;DR: 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione (CAS 77615-71-5) is a chemical compound with molecular formula C19H21N3S and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)-1-phenyl-3H-1,5-benzodiazepine-2-thione
Also Known As: 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione, 4-(diethylamino)-1-phenyl-3H-1,5-benzodiazepine-2-thione, 2H-1,5-BENZODIAZEPINE-2-THIONE, 4-(DIETHYLAMINO)-1,3-DIHYDRO-1-PHENYL-
| Molecular Formula | C19H21N3S |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.14563 |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 77615-71-5 |
|---|---|
| SMILES | CCN(CC)C1=NC2=CC=CC=C2N(C(=S)C1)C3=CC=CC=C3 |
| InChIKey | NLUOYPTZJQQODV-UHFFFAOYSA-N |
Product Overview
4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione (CAS 77615-71-5), with molecular formula C19H21N3S and molecular weight 323.15 g/mol. IUPAC: 4-(diethylamino)-1-phenyl-3H-1,5-benzodiazepine-2-thione.
Chemical Property Profile of 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione
Property Insights of 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione
The XLogP value of 3.5 indicates that 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione has 0 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 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione?
The CAS number of 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione is 77615-71-5.
What is the molecular formula of 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione?
The molecular formula of 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione is C19H21N3S.
What is the molecular weight of 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione?
The molecular weight of 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione is 323.15 g/mol.
Where can I buy 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione?
You can request a quote for 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-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 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylamino)-1-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.