12-氟-3-氧代十二烷酸乙酯
TL;DR: 12-氟-3-氧代十二烷酸乙酯 (CAS 352-82-9) is a chemical compound with molecular formula C14H25FO3 and molecular weight 260.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-氟-3-氧代十二烷酸乙酯
ethyl 12-fluoro-3-oxododecanoate
Also Known As: Ethyl 12-fluoro-3-oxododecanoate, Ethyl omega-fluoro-3-oxododecanoate, DODECANOIC ACID, 12-FLUORO-3-OXO-, ETHYL ESTER, 4-03-00-01665 (Beilstein Handbook Reference), 12-Fluoro-3-oxododecanoic acid ethyl ester
| Molecular Formula | C14H25FO3 |
|---|---|
| Molecular Weight | 260.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 260.17877 |
| Heavy Atoms | 18 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 352-82-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CCCCCCCCCF |
| InChIKey | UZOZIAHFAROPOU-UHFFFAOYSA-N |
Product Overview
12-氟-3-氧代十二烷酸乙酯 (CAS 352-82-9), with molecular formula C14H25FO3 and molecular weight 260.18 g/mol. IUPAC: ethyl 12-fluoro-3-oxododecanoate.
Chemical Property Profile of 12-氟-3-氧代十二烷酸乙酯
Property Insights of 12-氟-3-氧代十二烷酸乙酯
The XLogP value of 3.9 indicates that 12-氟-3-氧代十二烷酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 12-氟-3-氧代十二烷酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-氟-3-氧代十二烷酸乙酯 has 0 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 12-氟-3-氧代十二烷酸乙酯?
The CAS number of 12-氟-3-氧代十二烷酸乙酯 is 352-82-9.
What is the molecular formula of 12-氟-3-氧代十二烷酸乙酯?
The molecular formula of 12-氟-3-氧代十二烷酸乙酯 is C14H25FO3.
What is the molecular weight of 12-氟-3-氧代十二烷酸乙酯?
The molecular weight of 12-氟-3-氧代十二烷酸乙酯 is 260.18 g/mol.
Where can I buy 12-氟-3-氧代十二烷酸乙酯?
You can request a quote for 12-氟-3-氧代十二烷酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-氟-3-氧代十二烷酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 12-氟-3-氧代十二烷酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.