4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine
TL;DR: 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine (CAS 448904-65-2) is a chemical compound with molecular formula C19H15NS2 and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine
Also Known As: 4-phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine, AJ-091/40652553, 4-phenyl-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine, 2-(2-Thienyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine, 4-phenyl-2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine
| Molecular Formula | C19H15NS2 |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 6.106 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.0646 |
| Heavy Atoms | 22 |
| Complexity | 791.3221 |
Chemical Identifiers
| CAS Number | 448904-65-2 |
|---|---|
| SMILES | C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=CS4 |
Product Overview
4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine (CAS 448904-65-2), with molecular formula C19H15NS2 and molecular weight 321.06 g/mol. IUPAC: 4-phenyl-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine.
Chemical Property Profile of 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine
Property Insights of 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine
The XLogP value of 6.106 indicates that 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine?
The CAS number of 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine is 448904-65-2.
What is the molecular formula of 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine?
The molecular formula of 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine is C19H15NS2.
What is the molecular weight of 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine?
The molecular weight of 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine is 321.06 g/mol.
Where can I buy 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine?
You can request a quote for 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.