2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)-
TL;DR: 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)- (CAS 202537-07-3) is a chemical compound with molecular formula C16H16N2S and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3,4-dihydro-1H-1,5-benzodiazepine-2-thione
Also Known As: TimTec1_004715, 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)-, 5-benzyl-3,4-dihydro-1H-1,5-benzodiazepine-2-thione, 5-benzyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione, RefChem:268079
| Molecular Formula | C16H16N2S |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.10342 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 202537-07-3 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C2NC1=S)CC3=CC=CC=C3 |
| InChIKey | NKSXKIMLPQFLEX-UHFFFAOYSA-N |
Product Overview
2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)- (CAS 202537-07-3), with molecular formula C16H16N2S and molecular weight 268.10 g/mol. IUPAC: 5-benzyl-3,4-dihydro-1H-1,5-benzodiazepine-2-thione.
Chemical Property Profile of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)-
Property Insights of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)-
The XLogP value of 3.0 indicates that 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)- 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 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)-?
The CAS number of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)- is 202537-07-3.
What is the molecular formula of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)-?
The molecular formula of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)- is C16H16N2S.
What is the molecular weight of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)-?
The molecular weight of 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)- is 268.10 g/mol.
Where can I buy 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)-?
You can request a quote for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-5-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.