![3-Methoxybenzo[b][1]benzothiepine structure](/static/products/197/19711-53-6.png)
3-Methoxybenzo[b][1]benzothiepine
TL;DR: 3-Methoxybenzo[b][1]benzothiepine (CAS 19711-53-6) is a chemical compound with molecular formula C15H12OS and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxybenzo[b][1]benzothiepine
Also Known As: 2-methoxydibenzo[b,f]thiepine, 3-methoxybenzo[b][1]benzothiepine, AE-641/30101004
| Molecular Formula | C15H12OS |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 4.3302 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.06088 |
| Heavy Atoms | 17 |
| Complexity | 587.2257 |
Chemical Identifiers
| CAS Number | 19711-53-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2 |
Product Overview
3-Methoxybenzo[b][1]benzothiepine (CAS 19711-53-6), with molecular formula C15H12OS and molecular weight 240.06 g/mol. IUPAC: 3-methoxybenzo[b][1]benzothiepine.
Chemical Property Profile of 3-Methoxybenzo[b][1]benzothiepine
Property Insights of 3-Methoxybenzo[b][1]benzothiepine
The XLogP value of 4.3302 indicates that 3-Methoxybenzo[b][1]benzothiepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 3-Methoxybenzo[b][1]benzothiepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybenzo[b][1]benzothiepine 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 3-Methoxybenzo[b][1]benzothiepine?
The CAS number of 3-Methoxybenzo[b][1]benzothiepine is 19711-53-6.
What is the molecular formula of 3-Methoxybenzo[b][1]benzothiepine?
The molecular formula of 3-Methoxybenzo[b][1]benzothiepine is C15H12OS.
What is the molecular weight of 3-Methoxybenzo[b][1]benzothiepine?
The molecular weight of 3-Methoxybenzo[b][1]benzothiepine is 240.06 g/mol.
Where can I buy 3-Methoxybenzo[b][1]benzothiepine?
You can request a quote for 3-Methoxybenzo[b][1]benzothiepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybenzo[b][1]benzothiepine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybenzo[b][1]benzothiepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.