12-Carboxyretinoic acid
TL;DR: 12-Carboxyretinoic acid (CAS 7771-44-0) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,4E)-3-methyl-4-[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienylidene]pent-2-enedioic acid
Also Known As: 12-Carboxyretinoic acid, (E,4E)-3-methyl-4-[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienylidene]pent-2-enedioic acid
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 5.0574 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 697.4077 |
Chemical Identifiers
| CAS Number | 7771-44-0 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C(\C(=C\C(=O)O)\C)/C(=O)O)/C |
Product Overview
12-Carboxyretinoic acid (CAS 7771-44-0), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: (E,4E)-3-methyl-4-[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienylidene]pent-2-enedioic acid.
Chemical Property Profile of 12-Carboxyretinoic acid
Property Insights of 12-Carboxyretinoic acid
The XLogP value of 5.0574 indicates that 12-Carboxyretinoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Carboxyretinoic acid. Following Lipinski's Rule of Five, 12-Carboxyretinoic acid has 2 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 12-Carboxyretinoic acid?
The CAS number of 12-Carboxyretinoic acid is 7771-44-0.
What is the molecular formula of 12-Carboxyretinoic acid?
The molecular formula of 12-Carboxyretinoic acid is C21H28O4.
What is the molecular weight of 12-Carboxyretinoic acid?
The molecular weight of 12-Carboxyretinoic acid is 344.20 g/mol.
Where can I buy 12-Carboxyretinoic acid?
You can request a quote for 12-Carboxyretinoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Carboxyretinoic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-Carboxyretinoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.