5-sec-Butyl-4-hydroxyisophthalic acid
TL;DR: 5-sec-Butyl-4-hydroxyisophthalic acid (CAS 13253-09-3) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butan-2-yl-4-hydroxybenzene-1,3-dicarboxylic acid
Also Known As: 5-sec-Butyl-4-hydroxyisophthalic acid, 5-(sec-Butyl)-4-hydroxyisophthalic acid, 5-butan-2-yl-4-hydroxybenzene-1,3-dicarboxylic acid, 5-(sec-Butyl)-4-hydroxyisophthalicacid, 5-(butan-2-yl)-4-hydroxybenzene-1,3-dicarboxylic acid
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 2.3021 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 464.20895 |
Chemical Identifiers
| CAS Number | 13253-09-3 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC(=C1)C(=O)O)C(=O)O)O |
Product Overview
5-sec-Butyl-4-hydroxyisophthalic acid (CAS 13253-09-3), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: 5-butan-2-yl-4-hydroxybenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-sec-Butyl-4-hydroxyisophthalic acid
Property Insights of 5-sec-Butyl-4-hydroxyisophthalic acid
The XLogP value of 2.3021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-sec-Butyl-4-hydroxyisophthalic acid. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-sec-Butyl-4-hydroxyisophthalic acid. Following Lipinski's Rule of Five, 5-sec-Butyl-4-hydroxyisophthalic acid 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 5-sec-Butyl-4-hydroxyisophthalic acid?
The CAS number of 5-sec-Butyl-4-hydroxyisophthalic acid is 13253-09-3.
What is the molecular formula of 5-sec-Butyl-4-hydroxyisophthalic acid?
The molecular formula of 5-sec-Butyl-4-hydroxyisophthalic acid is C12H14O5.
What is the molecular weight of 5-sec-Butyl-4-hydroxyisophthalic acid?
The molecular weight of 5-sec-Butyl-4-hydroxyisophthalic acid is 238.08 g/mol.
Where can I buy 5-sec-Butyl-4-hydroxyisophthalic acid?
You can request a quote for 5-sec-Butyl-4-hydroxyisophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-sec-Butyl-4-hydroxyisophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-sec-Butyl-4-hydroxyisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.