羧基粘康酸
TL;DR: 羧基粘康酸 (CAS 6155-44-8) 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.
羧基粘康酸
(3E)-buta-1,3-diene-1,1,4-tricarboxylic acid
Also Known As: Carboxymuconic acid, buta-1,3-diene-1,1,4-tricarboxylic acid, (3E)-buta-1,3-diene-1,1,4-tricarboxylic acid
| 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 | 282.1046 |
Chemical Identifiers
| CAS Number | 6155-44-8 |
|---|---|
| SMILES | C(=C/C(=O)O)\C=C(C(=O)O)C(=O)O |
Product Overview
羧基粘康酸 (CAS 6155-44-8), with molecular formula C7H6O6 and molecular weight 186.02 g/mol. IUPAC: (3E)-buta-1,3-diene-1,1,4-tricarboxylic acid.
Chemical Property Profile of 羧基粘康酸
Property Insights of 羧基粘康酸
The XLogP value of -0.2772 indicates that 羧基粘康酸 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 羧基粘康酸. Following Lipinski's Rule of Five, 羧基粘康酸 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 羧基粘康酸?
The CAS number of 羧基粘康酸 is 6155-44-8.
What is the molecular formula of 羧基粘康酸?
The molecular formula of 羧基粘康酸 is C7H6O6.
What is the molecular weight of 羧基粘康酸?
The molecular weight of 羧基粘康酸 is 186.02 g/mol.
Where can I buy 羧基粘康酸?
You can request a quote for 羧基粘康酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羧基粘康酸?
Yes, KEHONG BIO provides custom synthesis services for 羧基粘康酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.