FLURADOLINE HYDROCHLORIDE
TL;DR: FLURADOLINE HYDROCHLORIDE (CAS 77590-97-7) is a chemical compound with molecular formula C17H17ClFNOS and molecular weight 337.07 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;hydrochloride
Also Known As: FLURADOLINE HYDROCHLORIDE, 2-(3-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-N-methylethanamine hydrochloride, 2-[(2-fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-n-methylethanamine hydrochloride(1:1), 2-[(2-Fluorodibenzo[b,f]oxepin-10-yl)sulfanyl]-N-methylethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C17H17ClFNOS |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.07034 |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 77590-97-7 |
|---|---|
| SMILES | CNCCSC1=CC2=C(C=CC(=C2)F)OC3=CC=CC=C31.Cl |
| InChIKey | FUXWLHPWQQSPAJ-UHFFFAOYSA-N |
Product Overview
FLURADOLINE HYDROCHLORIDE (CAS 77590-97-7), with molecular formula C17H17ClFNOS and molecular weight 337.07 g/mol. IUPAC: 2-(3-fluorobenzo[b][1]benzoxepin-6-yl)sulfanyl-N-methylethanamine;hydrochloride.
Chemical Property Profile of FLURADOLINE HYDROCHLORIDE
Property Insights of FLURADOLINE HYDROCHLORIDE
The XLogP value of 4.8 indicates that FLURADOLINE HYDROCHLORIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, FLURADOLINE HYDROCHLORIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, FLURADOLINE HYDROCHLORIDE has 2 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 FLURADOLINE HYDROCHLORIDE?
The CAS number of FLURADOLINE HYDROCHLORIDE is 77590-97-7.
What is the molecular formula of FLURADOLINE HYDROCHLORIDE?
The molecular formula of FLURADOLINE HYDROCHLORIDE is C17H17ClFNOS.
What is the molecular weight of FLURADOLINE HYDROCHLORIDE?
The molecular weight of FLURADOLINE HYDROCHLORIDE is 337.07 g/mol.
Where can I buy FLURADOLINE HYDROCHLORIDE?
You can request a quote for FLURADOLINE HYDROCHLORIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FLURADOLINE HYDROCHLORIDE?
Yes, KEHONG BIO provides custom synthesis services for FLURADOLINE HYDROCHLORIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.