Docosyloxirane
TL;DR: Docosyloxirane (CAS 81148-29-0) is a chemical compound with molecular formula C17H27ClFNO4 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate;hydrochloride
Also Known As: Docosyloxirane, Flumolol hydrochloride, Benzenepropanoic acid, 3-fluoro-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, ethyl ester, hydrochloride, Ethyl 3-(4-(2-hydroxy-3-isopropylamino)propoxy-3-fluorophenyl)propionate hydrochloride, ethyl 3-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate hydrochloride
| Molecular Formula | C17H27ClFNO4 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 2.4809 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 363.16125 |
| Heavy Atoms | 24 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 81148-29-0 |
|---|---|
| SMILES | CCOC(=O)CCC1=CC(=C(C=C1)OCC(CNC(C)C)O)F.Cl |
| InChIKey | HVZRSXJYNAOOCK-UHFFFAOYSA-N |
Product Overview
Docosyloxirane (CAS 81148-29-0), with molecular formula C17H27ClFNO4 and molecular weight 363.16 g/mol. IUPAC: ethyl 3-[3-fluoro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate;hydrochloride.
Chemical Property Profile of Docosyloxirane
Property Insights of Docosyloxirane
The XLogP value of 2.4809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Docosyloxirane. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Docosyloxirane. Following Lipinski's Rule of Five, Docosyloxirane has 3 hydrogen bond donor(s) and 6 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 Docosyloxirane?
The CAS number of Docosyloxirane is 81148-29-0.
What is the molecular formula of Docosyloxirane?
The molecular formula of Docosyloxirane is C17H27ClFNO4.
What is the molecular weight of Docosyloxirane?
The molecular weight of Docosyloxirane is 363.16 g/mol.
Where can I buy Docosyloxirane?
You can request a quote for Docosyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docosyloxirane?
Yes, KEHONG BIO provides custom synthesis services for Docosyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.