![2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine structure](/static/products/8238/82387-08-4.webp)
2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine
TL;DR: 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine (CAS 82387-08-4) is a chemical compound with molecular formula C16H17NOS and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methylethanamine
Also Known As: 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine, AE-641/30157003, 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methylethanamine
| Molecular Formula | C16H17NOS |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.1031 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 82387-08-4 |
|---|---|
| SMILES | CNCCC1C2=CC=CC=C2OC3=CC=CC=C3S1 |
| InChIKey | KZSNBUJWVBNROD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine (CAS 82387-08-4), with molecular formula C16H17NOS and molecular weight 271.10 g/mol. IUPAC: 2-(6H-benzo[b][1,5]benzoxathiepin-6-yl)-N-methylethanamine.
Chemical Property Profile of 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine
Property Insights of 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine
The XLogP value of 3.5 indicates that 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine has 1 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 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine?
The CAS number of 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine is 82387-08-4.
What is the molecular formula of 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine?
The molecular formula of 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine is C16H17NOS.
What is the molecular weight of 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine?
The molecular weight of 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine is 271.10 g/mol.
Where can I buy 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine?
You can request a quote for 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(11H-dibenzo[b,f][1,4]oxathiepin-11-yl)-N-methylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.