![Dibenzo[b,f]thiepin structure](/static/products/2571/257-13-6.webp)
Dibenzo[b,f]thiepin
TL;DR: Dibenzo[b,f]thiepin (CAS 257-13-6) is a chemical compound with molecular formula C14H10S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b][1]benzothiepine
Also Known As: Dibenzo[b,f]thiepin, Dibenzo(b,f)thiepin, Dibenzo[b,f]thiepine, benzo[b][1]benzothiepine, 2-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
| Molecular Formula | C14H10S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.05032 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 257-13-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC=CC=C3S2 |
| InChIKey | KMAWVRYYKYVCNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzo[b,f]thiepin (CAS 257-13-6), with molecular formula C14H10S and molecular weight 210.05 g/mol. IUPAC: benzo[b][1]benzothiepine.
Chemical Property Profile of Dibenzo[b,f]thiepin
Property Insights of Dibenzo[b,f]thiepin
The XLogP value of 4.5 indicates that Dibenzo[b,f]thiepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Dibenzo[b,f]thiepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo[b,f]thiepin has 0 hydrogen bond donor(s) and 1 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 Dibenzo[b,f]thiepin?
The CAS number of Dibenzo[b,f]thiepin is 257-13-6.
What is the molecular formula of Dibenzo[b,f]thiepin?
The molecular formula of Dibenzo[b,f]thiepin is C14H10S.
What is the molecular weight of Dibenzo[b,f]thiepin?
The molecular weight of Dibenzo[b,f]thiepin is 210.05 g/mol.
Where can I buy Dibenzo[b,f]thiepin?
You can request a quote for Dibenzo[b,f]thiepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo[b,f]thiepin?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo[b,f]thiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.