4-Keto 13-cis-Retinoic Acid
TL;DR: 4-Keto 13-cis-Retinoic Acid (CAS 71748-58-8) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Also Known As: 4-Oxoisotretinoin, 4-Oxo-isotretinoin, 4-oxo-Tretinoin, 4-oxo Isotretinoin, 4-Oxoretinoic acid
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 71748-58-8 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C |
| InChIKey | GGCUJPCCTQNTJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Keto 13-cis-Retinoic Acid (CAS 71748-58-8), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: 3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid.
Chemical Property Profile of 4-Keto 13-cis-Retinoic Acid
Property Insights of 4-Keto 13-cis-Retinoic Acid
The XLogP value of 4.8 indicates that 4-Keto 13-cis-Retinoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Keto 13-cis-Retinoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Keto 13-cis-Retinoic 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 4-Keto 13-cis-Retinoic Acid?
The CAS number of 4-Keto 13-cis-Retinoic Acid is 71748-58-8.
What is the molecular formula of 4-Keto 13-cis-Retinoic Acid?
The molecular formula of 4-Keto 13-cis-Retinoic Acid is C20H26O3.
What is the molecular weight of 4-Keto 13-cis-Retinoic Acid?
The molecular weight of 4-Keto 13-cis-Retinoic Acid is 314.19 g/mol.
Where can I buy 4-Keto 13-cis-Retinoic Acid?
You can request a quote for 4-Keto 13-cis-Retinoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Keto 13-cis-Retinoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Keto 13-cis-Retinoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.