![3-methoxy-6H-benzo[b][1]benzothiepin-5-one structure](/static/products/162/16219-06-0.png)
3-methoxy-6H-benzo[b][1]benzothiepin-5-one
TL;DR: 3-methoxy-6H-benzo[b][1]benzothiepin-5-one (CAS 16219-06-0) is a chemical compound with molecular formula C15H12O2S and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-6H-benzo[b][1]benzothiepin-5-one
Also Known As: 8-methoxydibenzo[b,f]thiepin-10(11H)-one, 3-methoxy-6H-benzo[b][1]benzothiepin-5-one, AE-641/40197943
| Molecular Formula | C15H12O2S |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 3.5852 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0558 |
| Heavy Atoms | 18 |
| Complexity | 619.6407 |
Chemical Identifiers
| CAS Number | 16219-06-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O |
Product Overview
3-methoxy-6H-benzo[b][1]benzothiepin-5-one (CAS 16219-06-0), with molecular formula C15H12O2S and molecular weight 256.06 g/mol. IUPAC: 3-methoxy-6H-benzo[b][1]benzothiepin-5-one.
Chemical Property Profile of 3-methoxy-6H-benzo[b][1]benzothiepin-5-one
Property Insights of 3-methoxy-6H-benzo[b][1]benzothiepin-5-one
The XLogP value of 3.5852 indicates that 3-methoxy-6H-benzo[b][1]benzothiepin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-methoxy-6H-benzo[b][1]benzothiepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methoxy-6H-benzo[b][1]benzothiepin-5-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 3-methoxy-6H-benzo[b][1]benzothiepin-5-one?
The CAS number of 3-methoxy-6H-benzo[b][1]benzothiepin-5-one is 16219-06-0.
What is the molecular formula of 3-methoxy-6H-benzo[b][1]benzothiepin-5-one?
The molecular formula of 3-methoxy-6H-benzo[b][1]benzothiepin-5-one is C15H12O2S.
What is the molecular weight of 3-methoxy-6H-benzo[b][1]benzothiepin-5-one?
The molecular weight of 3-methoxy-6H-benzo[b][1]benzothiepin-5-one is 256.06 g/mol.
Where can I buy 3-methoxy-6H-benzo[b][1]benzothiepin-5-one?
You can request a quote for 3-methoxy-6H-benzo[b][1]benzothiepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-6H-benzo[b][1]benzothiepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-6H-benzo[b][1]benzothiepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.