3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin
TL;DR: 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin (CAS 83807-06-1) is a chemical compound with molecular formula C22H18OS and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-6-methyl-5-phenylbenzo[b][1]benzothiepine
Also Known As: DIBENZO(b,f)THIEPIN, 3-METHOXY-10-METHYL-11-PHENYL-, 3-Methoxy-10-methyl-11-phenyldibenzo(b,f)thiepin, 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin, 3-methoxy-10-methyl-11-phenyldibenzo[b,f]thiepine, 2-methoxy-6-methyl-5-phenylbenzo[b][1]benzothiepine
| Molecular Formula | C22H18OS |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.10785 |
| Heavy Atoms | 24 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 83807-06-1 |
|---|---|
| SMILES | CC1=C(C2=C(C=C(C=C2)OC)SC3=CC=CC=C13)C4=CC=CC=C4 |
| InChIKey | VJNUNTNIJMOPAL-UHFFFAOYSA-N |
Product Overview
3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin (CAS 83807-06-1), with molecular formula C22H18OS and molecular weight 330.11 g/mol. IUPAC: 2-methoxy-6-methyl-5-phenylbenzo[b][1]benzothiepine.
Chemical Property Profile of 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin
Property Insights of 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin
The XLogP value of 5.5 indicates that 3-Methoxy-10-methyl-11-phenyl 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 34.5 Ų, 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin?
The CAS number of 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin is 83807-06-1.
What is the molecular formula of 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin?
The molecular formula of 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin is C22H18OS.
What is the molecular weight of 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin?
The molecular weight of 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin is 330.11 g/mol.
Where can I buy 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin?
You can request a quote for 3-Methoxy-10-methyl-11-phenyl 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 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.