2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
TL;DR: 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione (CAS 29476-14-0) is a chemical compound with molecular formula C15H13NS2 and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
Also Known As: Maybridge4_003408, 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione, FQEWVXXAJZVQAC-UHFFFAOYSA-, 1,5-Benzothiazepine-4(5H)-thione, 2,3-dihydro-2-phenyl-, 2-Phenyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione
| Molecular Formula | C15H13NS2 |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 4.663 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.04895 |
| Heavy Atoms | 18 |
| Complexity | 565.7161 |
Chemical Identifiers
| CAS Number | 29476-14-0 |
|---|---|
| SMILES | C1C(SC2=CC=CC=C2NC1=S)C3=CC=CC=C3 |
Product Overview
2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione (CAS 29476-14-0), with molecular formula C15H13NS2 and molecular weight 271.05 g/mol. IUPAC: 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione.
Chemical Property Profile of 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
Property Insights of 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
The XLogP value of 4.663 indicates that 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-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 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione?
The CAS number of 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione is 29476-14-0.
What is the molecular formula of 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione?
The molecular formula of 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione is C15H13NS2.
What is the molecular weight of 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione?
The molecular weight of 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione is 271.05 g/mol.
Where can I buy 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione?
You can request a quote for 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.