Thieno(3,4-d)thiepin
TL;DR: Thieno(3,4-d)thiepin (CAS 335665-52-6) is a chemical compound with molecular formula C1=CSC=CC2=CSC=C21 and molecular weight 165.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thieno[3,4-d]thiepine
Also Known As: Thieno[3,4-d]thiepin, Thieno(3,4-d)thiepin, thieno[3,4-d]thiepine, Thieno<3.4-d>thiepin, J1.796.846G
| Molecular Formula | C1=CSC=CC2=CSC=C21 |
|---|---|
| Molecular Weight | 165.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.99109 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 335665-52-6 |
|---|---|
| SMILES | C1=CSC=CC2=CSC=C21 |
| InChIKey | FRZLBIQZZDYWPG-UHFFFAOYSA-N |
Product Overview
Thieno(3,4-d)thiepin (CAS 335665-52-6), with molecular formula C1=CSC=CC2=CSC=C21 and molecular weight 165.99 g/mol. IUPAC: thieno[3,4-d]thiepine.
Chemical Property Profile of Thieno(3,4-d)thiepin
Property Insights of Thieno(3,4-d)thiepin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thieno(3,4-d)thiepin. With a topological polar surface area (TPSA) of 53.5 Ų, Thieno(3,4-d)thiepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thieno(3,4-d)thiepin has 0 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 Thieno(3,4-d)thiepin?
The CAS number of Thieno(3,4-d)thiepin is 335665-52-6.
What is the molecular formula of Thieno(3,4-d)thiepin?
The molecular formula of Thieno(3,4-d)thiepin is C1=CSC=CC2=CSC=C21.
What is the molecular weight of Thieno(3,4-d)thiepin?
The molecular weight of Thieno(3,4-d)thiepin is 165.99 g/mol.
Where can I buy Thieno(3,4-d)thiepin?
You can request a quote for Thieno(3,4-d)thiepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thieno(3,4-d)thiepin?
Yes, KEHONG BIO provides custom synthesis services for Thieno(3,4-d)thiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.