Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy-
TL;DR: Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy- (CAS 57193-62-1) is a chemical compound with molecular formula C13H16O6 and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-carboxypentyl)-4,6-dihydroxybenzoic acid
Also Known As: Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy-, 2-Carboxy-3,5-dihydroxybenzenehexanoic, acid, 2-Carboxy-3,5-dihydroxybenzenehexanoic acid, 2-(5-Carboxypentyl)-4,6-dihydroxybenzoic acid, 2,4-dihydroxy-6-(6-hydroxy-6-oxohexyl)benzoic acid
| Molecular Formula | C13H16O6 |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 1.9835 |
| Topological Polar Surface Area | 115.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 268.0947 |
| Heavy Atoms | 19 |
| Complexity | 480.26694 |
Chemical Identifiers
| CAS Number | 57193-62-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1CCCCCC(=O)O)C(=O)O)O)O |
Product Overview
Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy- (CAS 57193-62-1), with molecular formula C13H16O6 and molecular weight 268.09 g/mol. IUPAC: 2-(5-carboxypentyl)-4,6-dihydroxybenzoic acid.
Chemical Property Profile of Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy-
Property Insights of Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy-
The XLogP value of 1.9835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy-. The TPSA of 115.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy-. Following Lipinski's Rule of Five, Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy- has 4 hydrogen bond donor(s) and 4 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 Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy-?
The CAS number of Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy- is 57193-62-1.
What is the molecular formula of Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy-?
The molecular formula of Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy- is C13H16O6.
What is the molecular weight of Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy-?
The molecular weight of Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy- is 268.09 g/mol.
Where can I buy Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy-?
You can request a quote for Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzenehexanoic acid, 2-carboxy-3,5-dihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.