Fluparoxan hydrochloride
TL;DR: Fluparoxan hydrochloride (CAS 111793-41-0) is a chemical compound with molecular formula C11H15ClFNO2 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole;methane;hydrochloride
Also Known As: Fluparoxan hydrochloride, (9aS)-5-Fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole--methane--hydrogen chloride (1/1/1), (9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole; methane; hydrochloride, 5-Fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole--methane--hydrogen chloride (1/1/1)
| Molecular Formula | C11H15ClFNO2 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.9952 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.07753 |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 111793-41-0 |
|---|---|
| SMILES | C.C1[C@H]2C(CN1)OC3=C(O2)C=CC=C3F.Cl |
| InChIKey | BWCSVEBUPDVVQP-NWWUXDCXSA-N |
Product Overview
Fluparoxan hydrochloride (CAS 111793-41-0), with molecular formula C11H15ClFNO2 and molecular weight 247.08 g/mol. IUPAC: (9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole;methane;hydrochloride.
Chemical Property Profile of Fluparoxan hydrochloride
Property Insights of Fluparoxan hydrochloride
The XLogP value of 1.9952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fluparoxan hydrochloride. With a topological polar surface area (TPSA) of 30.5 Ų, Fluparoxan hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fluparoxan 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 Fluparoxan hydrochloride?
The CAS number of Fluparoxan hydrochloride is 111793-41-0.
What is the molecular formula of Fluparoxan hydrochloride?
The molecular formula of Fluparoxan hydrochloride is C11H15ClFNO2.
What is the molecular weight of Fluparoxan hydrochloride?
The molecular weight of Fluparoxan hydrochloride is 247.08 g/mol.
Where can I buy Fluparoxan hydrochloride?
You can request a quote for Fluparoxan hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fluparoxan hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Fluparoxan hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.