Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester
TL;DR: Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester (CAS 98092-83-2) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-hydroxypentyl)benzoate
Also Known As: Ethyl 4-(5-hydroxypentyl)benzoate, Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester, RefChem:327444
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 2.5684 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 329.8255 |
Chemical Identifiers
| CAS Number | 98092-83-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CCCCCO |
Product Overview
Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester (CAS 98092-83-2), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: ethyl 4-(5-hydroxypentyl)benzoate.
Chemical Property Profile of Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester
Property Insights of Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester
The XLogP value of 2.5684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester. With a topological polar surface area (TPSA) of 46.53 Ų, Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester 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 Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester?
The CAS number of Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester is 98092-83-2.
What is the molecular formula of Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester?
The molecular formula of Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester is C14H20O3.
What is the molecular weight of Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester?
The molecular weight of Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester is 236.14 g/mol.
Where can I buy Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester?
You can request a quote for Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(5-hydroxypentyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.