Benzoic acid, 2,6-dihydroxy-4-pentyl-
TL;DR: Benzoic acid, 2,6-dihydroxy-4-pentyl- (CAS 61695-63-4) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dihydroxy-4-pentylbenzoic acid
Also Known As: 2,6-Dihydroxy-4-pentylbenzoic acid, Olivetolcarboxylic acid, 4-n-Pentyl-6-hydroxysalicylic acid, Benzoic acid, 2,6-dihydroxy-4-pentyl-, 4-n-Pentyl-6-hydroxy-salicylsaeure
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 2.5287 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 361.6003 |
Chemical Identifiers
| CAS Number | 61695-63-4 |
|---|---|
| SMILES | CCCCCC1=CC(=C(C(=C1)O)C(=O)O)O |
Product Overview
Benzoic acid, 2,6-dihydroxy-4-pentyl- (CAS 61695-63-4), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 2,6-dihydroxy-4-pentylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2,6-dihydroxy-4-pentyl-
Property Insights of Benzoic acid, 2,6-dihydroxy-4-pentyl-
The XLogP value of 2.5287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,6-dihydroxy-4-pentyl-. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,6-dihydroxy-4-pentyl-. Following Lipinski's Rule of Five, Benzoic acid, 2,6-dihydroxy-4-pentyl- 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 Benzoic acid, 2,6-dihydroxy-4-pentyl-?
The CAS number of Benzoic acid, 2,6-dihydroxy-4-pentyl- is 61695-63-4.
What is the molecular formula of Benzoic acid, 2,6-dihydroxy-4-pentyl-?
The molecular formula of Benzoic acid, 2,6-dihydroxy-4-pentyl- is C12H16O4.
What is the molecular weight of Benzoic acid, 2,6-dihydroxy-4-pentyl-?
The molecular weight of Benzoic acid, 2,6-dihydroxy-4-pentyl- is 224.10 g/mol.
Where can I buy Benzoic acid, 2,6-dihydroxy-4-pentyl-?
You can request a quote for Benzoic acid, 2,6-dihydroxy-4-pentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,6-dihydroxy-4-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,6-dihydroxy-4-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.