5,8-Monoepoxyretinoic acid
TL;DR: 5,8-Monoepoxyretinoic acid (CAS 112018-12-9) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylocta-2,4,6-trienoic acid
Also Known As: 5,8-Monoepoxyretinoic acid, Retinoic acid, 5,8-epoxy-5,8-dihydro-, 5,8-Epoxy-13-cis Retinoic Acid(Mixture of Diastereomers), all-trans 5,8-Epoxy Retinoic Acid (Mixture of Diastereomers)
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 112018-12-9 |
|---|---|
| SMILES | CC(=CC(=O)O)C=CC=C(C)C1C=C2C(CCCC2(O1)C)(C)C |
| InChIKey | QDOSIDVGVRAXSE-UHFFFAOYSA-N |
Product Overview
5,8-Monoepoxyretinoic acid (CAS 112018-12-9), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: 7-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylocta-2,4,6-trienoic acid.
Chemical Property Profile of 5,8-Monoepoxyretinoic acid
Property Insights of 5,8-Monoepoxyretinoic acid
The XLogP value of 4.8 indicates that 5,8-Monoepoxyretinoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5,8-Monoepoxyretinoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,8-Monoepoxyretinoic acid has 1 hydrogen bond donor(s) and 3 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 5,8-Monoepoxyretinoic acid?
The CAS number of 5,8-Monoepoxyretinoic acid is 112018-12-9.
What is the molecular formula of 5,8-Monoepoxyretinoic acid?
The molecular formula of 5,8-Monoepoxyretinoic acid is C20H28O3.
What is the molecular weight of 5,8-Monoepoxyretinoic acid?
The molecular weight of 5,8-Monoepoxyretinoic acid is 316.20 g/mol.
Where can I buy 5,8-Monoepoxyretinoic acid?
You can request a quote for 5,8-Monoepoxyretinoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,8-Monoepoxyretinoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,8-Monoepoxyretinoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.