![Dibenzo[B,F][1,4]thiazepine structure](/static/products/2571/257-15-8.webp)
Dibenzo[B,F][1,4]thiazepine
TL;DR: Dibenzo[B,F][1,4]thiazepine (CAS 257-15-8) is a chemical compound with molecular formula C13H9NS and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b][1,4]benzothiazepine
Also Known As: Quetiapine Impurity 66, Quetiapine Impurity 81, DIBENZO[B,F][1,4]THIAZEPINE, benzo[b][1,4]benzothiazepine, J1.528.338F
| Molecular Formula | C13H9NS |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 3.9018 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.04558 |
| Heavy Atoms | 15 |
| Complexity | 484.0641 |
Chemical Identifiers
| CAS Number | 257-15-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC3=CC=CC=C3S2 |
Product Overview
Dibenzo[B,F][1,4]thiazepine (CAS 257-15-8), with molecular formula C13H9NS and molecular weight 211.05 g/mol. IUPAC: benzo[b][1,4]benzothiazepine.
Chemical Property Profile of Dibenzo[B,F][1,4]thiazepine
Property Insights of Dibenzo[B,F][1,4]thiazepine
The XLogP value of 3.9018 indicates that Dibenzo[B,F][1,4]thiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, Dibenzo[B,F][1,4]thiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo[B,F][1,4]thiazepine 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 Dibenzo[B,F][1,4]thiazepine?
The CAS number of Dibenzo[B,F][1,4]thiazepine is 257-15-8.
What is the molecular formula of Dibenzo[B,F][1,4]thiazepine?
The molecular formula of Dibenzo[B,F][1,4]thiazepine is C13H9NS.
What is the molecular weight of Dibenzo[B,F][1,4]thiazepine?
The molecular weight of Dibenzo[B,F][1,4]thiazepine is 211.05 g/mol.
Where can I buy Dibenzo[B,F][1,4]thiazepine?
You can request a quote for Dibenzo[B,F][1,4]thiazepine 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][1,4]thiazepine?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo[B,F][1,4]thiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.