![2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine structure](/static/products/7131/71316-84-2.webp)
2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine
TL;DR: 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine (CAS 71316-84-2) is a chemical compound with molecular formula C17H16FNOS and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-N-methylethanamine
Also Known As: FLURADOLINE, 2-(3-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-N-methylethanamine, 2-[(2-fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-n-methylethanamine, 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine
| Molecular Formula | C17H16FNOS |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.09366 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 71316-84-2 |
|---|---|
| SMILES | CNCCSC1=CC2=C(C=CC(=C2)F)OC3=CC=CC=C31 |
| InChIKey | CHPITGJOZSVPGL-UHFFFAOYSA-N |
Product Overview
2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine (CAS 71316-84-2), with molecular formula C17H16FNOS and molecular weight 301.09 g/mol. IUPAC: 2-(3-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-N-methylethanamine.
Chemical Property Profile of 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine
Property Insights of 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine
The XLogP value of 3.8 indicates that 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine 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-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine has 1 hydrogen bond donor(s) and 4 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-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine?
The CAS number of 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine is 71316-84-2.
What is the molecular formula of 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine?
The molecular formula of 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine is C17H16FNOS.
What is the molecular weight of 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine?
The molecular weight of 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine is 301.09 g/mol.
Where can I buy 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine?
You can request a quote for 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.