Retinoid C-17-diester
TL;DR: Retinoid C-17-diester (CAS 104544-35-6) is a chemical compound with molecular formula C21H30O5 and molecular weight 362.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(7-ethoxy-3-methyl-7-oxohepta-1,3,5-trienyl)-1,3-dimethyl-4-oxocyclohexane-1-carboxylate
Also Known As: Retinoid C-17-diester, ethyl 2-(7-ethoxy-3-methyl-7-oxohepta-1,3,5-trienyl)-1,3-dim, Cyclohexanecarboxylicacid, 2-(7-ethoxy-3-methyl-7-oxo-1,3,5-heptatrien-1-yl)-1,3-dimethyl-4-oxo-,ethyl ester, 5-Methyl-7-(2,6-dimethyl-6-ethoxycarbonyl-3-oxo-1-cyclohexyl)-2,4,6-heptatrienoic acid
| Molecular Formula | C21H30O5 |
|---|---|
| Molecular Weight | 362.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 362.20932 |
| Heavy Atoms | 26 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 104544-35-6 |
|---|---|
| SMILES | CCOC(=O)C=CC=C(C)C=CC1C(C(=O)CCC1(C)C(=O)OCC)C |
| InChIKey | STCXGUDTDNHACQ-UHFFFAOYSA-N |
Product Overview
Retinoid C-17-diester (CAS 104544-35-6), with molecular formula C21H30O5 and molecular weight 362.21 g/mol. IUPAC: ethyl 2-(7-ethoxy-3-methyl-7-oxohepta-1,3,5-trienyl)-1,3-dimethyl-4-oxocyclohexane-1-carboxylate.
Chemical Property Profile of Retinoid C-17-diester
Property Insights of Retinoid C-17-diester
The XLogP value of 3.9 indicates that Retinoid C-17-diester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Retinoid C-17-diester. Following Lipinski's Rule of Five, Retinoid C-17-diester has 0 hydrogen bond donor(s) and 5 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 Retinoid C-17-diester?
The CAS number of Retinoid C-17-diester is 104544-35-6.
What is the molecular formula of Retinoid C-17-diester?
The molecular formula of Retinoid C-17-diester is C21H30O5.
What is the molecular weight of Retinoid C-17-diester?
The molecular weight of Retinoid C-17-diester is 362.21 g/mol.
Where can I buy Retinoid C-17-diester?
You can request a quote for Retinoid C-17-diester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Retinoid C-17-diester?
Yes, KEHONG BIO provides custom synthesis services for Retinoid C-17-diester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.