醋氟拉诺
TL;DR: 醋氟拉诺 (CAS 80595-73-9) is a chemical compound with molecular formula C25H26F2O8 and molecular weight 492.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
醋氟拉诺
[2-acetyloxy-5-[3-(3,4-diacetyloxy-5-fluorophenyl)pentan-2-yl]-3-fluorophenyl] acetate
Also Known As: Acefluranol, Acefluranolum, Acefluranol [INN:BAN], Bx 591, B- 591
| Molecular Formula | C25H26F2O8 |
|---|---|
| Molecular Weight | 492.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 492.15958 |
| Heavy Atoms | 35 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 80595-73-9 |
|---|---|
| SMILES | CCC(C1=CC(=C(C(=C1)F)OC(=O)C)OC(=O)C)C(C)C2=CC(=C(C(=C2)F)OC(=O)C)OC(=O)C |
| InChIKey | WSTGQGOLZDAWND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
醋氟拉诺 (CAS 80595-73-9), with molecular formula C25H26F2O8 and molecular weight 492.16 g/mol. IUPAC: [2-acetyloxy-5-[3-(3,4-diacetyloxy-5-fluorophenyl)pentan-2-yl]-3-fluorophenyl] acetate.
Chemical Property Profile of 醋氟拉诺
Property Insights of 醋氟拉诺
The XLogP value of 4.5 indicates that 醋氟拉诺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 醋氟拉诺. Following Lipinski's Rule of Five, 醋氟拉诺 has 0 hydrogen bond donor(s) and 10 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 醋氟拉诺?
The CAS number of 醋氟拉诺 is 80595-73-9.
What is the molecular formula of 醋氟拉诺?
The molecular formula of 醋氟拉诺 is C25H26F2O8.
What is the molecular weight of 醋氟拉诺?
The molecular weight of 醋氟拉诺 is 492.16 g/mol.
Where can I buy 醋氟拉诺?
You can request a quote for 醋氟拉诺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 醋氟拉诺?
Yes, KEHONG BIO provides custom synthesis services for 醋氟拉诺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.