18-羟基视黄酸
TL;DR: 18-羟基视黄酸 (CAS 63531-93-1) 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.
18-羟基视黄酸
9-[2-(hydroxymethyl)-6,6-dimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Also Known As: 18-Hydroxyretinoic acid, Ro 12-4825, 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(6,6-dimethyl-2-(hydroxymethyl)-1-cyclohexen-1-yl)-, (E)-, all-trans-9-(2-(Hydroxymethyl)-6,6-dimethyl-1-cyclohexen-1-yl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 63531-93-1 |
|---|---|
| SMILES | CC(=CC=CC(=CC(=O)O)C)C=CC1=C(CCCC1(C)C)CO |
| InChIKey | XSJOIRFEYHJNAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
18-羟基视黄酸 (CAS 63531-93-1), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: 9-[2-(hydroxymethyl)-6,6-dimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid.
Chemical Property Profile of 18-羟基视黄酸
Property Insights of 18-羟基视黄酸
The XLogP value of 5.0 indicates that 18-羟基视黄酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 18-羟基视黄酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 18-羟基视黄酸 has 2 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 18-羟基视黄酸?
The CAS number of 18-羟基视黄酸 is 63531-93-1.
What is the molecular formula of 18-羟基视黄酸?
The molecular formula of 18-羟基视黄酸 is C20H28O3.
What is the molecular weight of 18-羟基视黄酸?
The molecular weight of 18-羟基视黄酸 is 316.20 g/mol.
Where can I buy 18-羟基视黄酸?
You can request a quote for 18-羟基视黄酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18-羟基视黄酸?
Yes, KEHONG BIO provides custom synthesis services for 18-羟基视黄酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.