![thieno[2,3-c][2]benzothiepin-4(9H)-one structure](/static/products/120/1207-26-7.png)
thieno[2,3-c][2]benzothiepin-4(9H)-one
TL;DR: thieno[2,3-c][2]benzothiepin-4(9H)-one (CAS 1207-26-7) is a chemical compound with molecular formula C12H8OS2 and molecular weight 232.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5H-thieno[2,3-c][2]benzothiepin-10-one
Also Known As: 5H-thieno[2,3-c][2]benzothiepin-10-one, thieno[2,3-c][2]benzothiepin-4(9H)-one, AE-641/30102043
| Molecular Formula | C12H8OS2 |
|---|---|
| Molecular Weight | 232.00 g/mol |
| LogP | 3.5848 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.00166 |
| Heavy Atoms | 15 |
| Complexity | 527.92334 |
Chemical Identifiers
| CAS Number | 1207-26-7 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)C3=C(S1)SC=C3 |
Product Overview
thieno[2,3-c][2]benzothiepin-4(9H)-one (CAS 1207-26-7), with molecular formula C12H8OS2 and molecular weight 232.00 g/mol. IUPAC: 5H-thieno[2,3-c][2]benzothiepin-10-one.
Chemical Property Profile of thieno[2,3-c][2]benzothiepin-4(9H)-one
Property Insights of thieno[2,3-c][2]benzothiepin-4(9H)-one
The XLogP value of 3.5848 indicates that thieno[2,3-c][2]benzothiepin-4(9H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, thieno[2,3-c][2]benzothiepin-4(9H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, thieno[2,3-c][2]benzothiepin-4(9H)-one has 0 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 thieno[2,3-c][2]benzothiepin-4(9H)-one?
The CAS number of thieno[2,3-c][2]benzothiepin-4(9H)-one is 1207-26-7.
What is the molecular formula of thieno[2,3-c][2]benzothiepin-4(9H)-one?
The molecular formula of thieno[2,3-c][2]benzothiepin-4(9H)-one is C12H8OS2.
What is the molecular weight of thieno[2,3-c][2]benzothiepin-4(9H)-one?
The molecular weight of thieno[2,3-c][2]benzothiepin-4(9H)-one is 232.00 g/mol.
Where can I buy thieno[2,3-c][2]benzothiepin-4(9H)-one?
You can request a quote for thieno[2,3-c][2]benzothiepin-4(9H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for thieno[2,3-c][2]benzothiepin-4(9H)-one?
Yes, KEHONG BIO provides custom synthesis services for thieno[2,3-c][2]benzothiepin-4(9H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.