3-Carboxymuconic acid, cis-
TL;DR: 3-Carboxymuconic acid, cis- (CAS 1116-26-3) is a chemical compound with molecular formula C7H6O6 and molecular weight 186.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid
Also Known As: 3-carboxy-cis,cis-muconic acid, Carboxymuconic acid, 3-carboxy-cis,cis-muconate, 3-Carboxymuconic acid, cis-, beta-Carboxy-cis,cis-muconate
| Molecular Formula | C7H6O6 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | -0.2772 |
| Topological Polar Surface Area | 111.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.01643 |
| Heavy Atoms | 13 |
| Complexity | 298.1046 |
Chemical Identifiers
| CAS Number | 1116-26-3 |
|---|---|
| SMILES | C(=C\C(=O)O)\C(=C/C(=O)O)\C(=O)O |
Product Overview
3-Carboxymuconic acid, cis- (CAS 1116-26-3), with molecular formula C7H6O6 and molecular weight 186.02 g/mol. IUPAC: (1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid.
Chemical Property Profile of 3-Carboxymuconic acid, cis-
Property Insights of 3-Carboxymuconic acid, cis-
The XLogP value of -0.2772 indicates that 3-Carboxymuconic acid, cis- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxymuconic acid, cis-. Following Lipinski's Rule of Five, 3-Carboxymuconic acid, cis- has 3 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 3-Carboxymuconic acid, cis-?
The CAS number of 3-Carboxymuconic acid, cis- is 1116-26-3.
What is the molecular formula of 3-Carboxymuconic acid, cis-?
The molecular formula of 3-Carboxymuconic acid, cis- is C7H6O6.
What is the molecular weight of 3-Carboxymuconic acid, cis-?
The molecular weight of 3-Carboxymuconic acid, cis- is 186.02 g/mol.
Where can I buy 3-Carboxymuconic acid, cis-?
You can request a quote for 3-Carboxymuconic acid, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxymuconic acid, cis-?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxymuconic acid, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.