4-Hydroxyetretinate
TL;DR: 4-Hydroxyetretinate (CAS 66757-07-1) is a chemical compound with molecular formula C22H28O3 and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
Also Known As: 4-Hydroxyetretinate, Ro 11-4768, Ro-11-4768, ethyl (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate, 9-(4-Hydroxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid, ethyl ester
| Molecular Formula | C22H28O3 |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 5.34256 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.20386 |
| Heavy Atoms | 25 |
| Complexity | 747.0261 |
Chemical Identifiers
| CAS Number | 66757-07-1 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C(=C(C=C1C)O)C)C |
Product Overview
4-Hydroxyetretinate (CAS 66757-07-1), with molecular formula C22H28O3 and molecular weight 340.20 g/mol. IUPAC: ethyl (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate.
Chemical Property Profile of 4-Hydroxyetretinate
Property Insights of 4-Hydroxyetretinate
The XLogP value of 5.34256 indicates that 4-Hydroxyetretinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 4-Hydroxyetretinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxyetretinate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Hydroxyetretinate?
The CAS number of 4-Hydroxyetretinate is 66757-07-1.
What is the molecular formula of 4-Hydroxyetretinate?
The molecular formula of 4-Hydroxyetretinate is C22H28O3.
What is the molecular weight of 4-Hydroxyetretinate?
The molecular weight of 4-Hydroxyetretinate is 340.20 g/mol.
Where can I buy 4-Hydroxyetretinate?
You can request a quote for 4-Hydroxyetretinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyetretinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyetretinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.