(2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
TL;DR: (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one (CAS 5871-68-1) is a chemical compound with molecular formula C13H11NOS2 and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Also Known As: 2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
| Molecular Formula | C13H11NOS2 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 3.9237 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.0282 |
| Heavy Atoms | 17 |
| Complexity | 536.1123 |
Chemical Identifiers
| CAS Number | 5871-68-1 |
|---|---|
| SMILES | C1[C@H](SC2=CC=CC=C2NC1=O)C3=CC=CS3 |
Product Overview
(2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one (CAS 5871-68-1), with molecular formula C13H11NOS2 and molecular weight 261.03 g/mol. IUPAC: (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
Chemical Property Profile of (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Property Insights of (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
The XLogP value of 3.9237 indicates that (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one has 1 hydrogen bond donor(s) and 3 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 (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The CAS number of (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is 5871-68-1.
What is the molecular formula of (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The molecular formula of (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is C13H11NOS2.
What is the molecular weight of (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The molecular weight of (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is 261.03 g/mol.
Where can I buy (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
You can request a quote for (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.