2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
TL;DR: 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 257946-68-2) is a chemical compound with molecular formula C15H15NOS2 and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethylthiophen-3-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
Also Known As: 2-(2,5-dimethyl-3-thienyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one, 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, 2-(2,5-dimethylthiophen-3-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one, 2-(2,5-Dimethylthiophen-3-yl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, RefChem:250201
| Molecular Formula | C15H15NOS2 |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 4.54054 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.0595 |
| Heavy Atoms | 19 |
| Complexity | 632.82587 |
Chemical Identifiers
| CAS Number | 257946-68-2 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)C2CC(=O)NC3=CC=CC=C3S2 |
Product Overview
2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one (CAS 257946-68-2), with molecular formula C15H15NOS2 and molecular weight 289.06 g/mol. IUPAC: 2-(2,5-dimethylthiophen-3-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
Chemical Property Profile of 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Property Insights of 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
The XLogP value of 4.54054 indicates that 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-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, 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-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 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The CAS number of 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 257946-68-2.
What is the molecular formula of 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular formula of 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is C15H15NOS2.
What is the molecular weight of 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
The molecular weight of 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is 289.06 g/mol.
Where can I buy 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
You can request a quote for 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-Dimethyl-3-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.