trans-Aryltriene analog of retinoic acid ethyl ester
TL;DR: trans-Aryltriene analog of retinoic acid ethyl ester (CAS 77837-56-0) is a chemical compound with molecular formula C23H30O2 and molecular weight 338.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate
Also Known As: trans-Aryltriene analog of retinoic acid ethyl ester, Ethyl (E,E)-4-(2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadienyl)benzoate, Benzoic acid, 4-(2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadienyl)-, ethyl ester, (E,E)-, Ethyl-all-trans-4-(2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl)benzoate, ethyl 4-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]benzoate
| Molecular Formula | C23H30O2 |
|---|---|
| Molecular Weight | 338.22 g/mol |
| LogP | 6.3494 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.22458 |
| Heavy Atoms | 25 |
| Complexity | 700.1133 |
Chemical Identifiers
| CAS Number | 77837-56-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)/C=C(\C)/C=C/C2=C(CCCC2(C)C)C |
Product Overview
trans-Aryltriene analog of retinoic acid ethyl ester (CAS 77837-56-0), with molecular formula C23H30O2 and molecular weight 338.22 g/mol. IUPAC: ethyl 4-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]benzoate.
Chemical Property Profile of trans-Aryltriene analog of retinoic acid ethyl ester
Property Insights of trans-Aryltriene analog of retinoic acid ethyl ester
The XLogP value of 6.3494 indicates that trans-Aryltriene analog of retinoic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, trans-Aryltriene analog of retinoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Aryltriene analog of retinoic acid ethyl ester 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 trans-Aryltriene analog of retinoic acid ethyl ester?
The CAS number of trans-Aryltriene analog of retinoic acid ethyl ester is 77837-56-0.
What is the molecular formula of trans-Aryltriene analog of retinoic acid ethyl ester?
The molecular formula of trans-Aryltriene analog of retinoic acid ethyl ester is C23H30O2.
What is the molecular weight of trans-Aryltriene analog of retinoic acid ethyl ester?
The molecular weight of trans-Aryltriene analog of retinoic acid ethyl ester is 338.22 g/mol.
Where can I buy trans-Aryltriene analog of retinoic acid ethyl ester?
You can request a quote for trans-Aryltriene analog of retinoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Aryltriene analog of retinoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for trans-Aryltriene analog of retinoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.