4-hydroxybutyl Benzoate
TL;DR: 4-hydroxybutyl Benzoate (CAS 32651-37-9) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxybutyl benzoate
Also Known As: 4-hydroxybutyl Benzoate, 4-Hydroxybutylbenzoat, 4-benzoyloxy-1-butanol, 4-benzoyloxybutan-1-ol, benzoic acid,butane-1,4-diol
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.6159 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 269.12094 |
Chemical Identifiers
| CAS Number | 32651-37-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCO |
Product Overview
4-hydroxybutyl Benzoate (CAS 32651-37-9), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 4-hydroxybutyl benzoate.
Chemical Property Profile of 4-hydroxybutyl Benzoate
Property Insights of 4-hydroxybutyl Benzoate
The XLogP value of 1.6159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxybutyl Benzoate. With a topological polar surface area (TPSA) of 46.53 Ų, 4-hydroxybutyl Benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-hydroxybutyl Benzoate has 1 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 4-hydroxybutyl Benzoate?
The CAS number of 4-hydroxybutyl Benzoate is 32651-37-9.
What is the molecular formula of 4-hydroxybutyl Benzoate?
The molecular formula of 4-hydroxybutyl Benzoate is C11H14O3.
What is the molecular weight of 4-hydroxybutyl Benzoate?
The molecular weight of 4-hydroxybutyl Benzoate is 194.09 g/mol.
Where can I buy 4-hydroxybutyl Benzoate?
You can request a quote for 4-hydroxybutyl Benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxybutyl Benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxybutyl Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.