Ethyl 12-fluororetinoate
TL;DR: Ethyl 12-fluororetinoate (CAS 3887-00-1) is a chemical compound with molecular formula C22H31FO2 and molecular weight 346.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Also Known As: Ethyl 12-fluororetinoate, Retinoic acid, 12-fluoro-, ethyl ester, 12-Fluor-vitamin-A-saeure-ethylester, ethyl (2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
| Molecular Formula | C22H31FO2 |
|---|---|
| Molecular Weight | 346.23 g/mol |
| LogP | 6.3783 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.2308 |
| Heavy Atoms | 25 |
| Complexity | 642.93835 |
Chemical Identifiers
| CAS Number | 3887-00-1 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/C(=C/C=C(/C)\C=C\C1=C(CCCC1(C)C)C)/F |
Product Overview
Ethyl 12-fluororetinoate (CAS 3887-00-1), with molecular formula C22H31FO2 and molecular weight 346.23 g/mol. IUPAC: ethyl (2E,4Z,6Z,8E)-4-fluoro-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate.
Chemical Property Profile of Ethyl 12-fluororetinoate
Property Insights of Ethyl 12-fluororetinoate
The XLogP value of 6.3783 indicates that Ethyl 12-fluororetinoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 12-fluororetinoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 12-fluororetinoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 12-fluororetinoate?
The CAS number of Ethyl 12-fluororetinoate is 3887-00-1.
What is the molecular formula of Ethyl 12-fluororetinoate?
The molecular formula of Ethyl 12-fluororetinoate is C22H31FO2.
What is the molecular weight of Ethyl 12-fluororetinoate?
The molecular weight of Ethyl 12-fluororetinoate is 346.23 g/mol.
Where can I buy Ethyl 12-fluororetinoate?
You can request a quote for Ethyl 12-fluororetinoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 12-fluororetinoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 12-fluororetinoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.