Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester
TL;DR: Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester (CAS 166273-37-6) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 5-hydroxypentanoate
Also Known As: 4-tert-Butylphenyl 5-hydroxypentanoate, (4-tert-butylphenyl) 5-hydroxypentanoate, 4-(tert-Butyl)phenyl 5-Hydroxypentanoate, 4-tert-Butylphenyl 5-hydroxypentanoate #, J1.149.598B
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 166273-37-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)CCCCO |
| InChIKey | LHWCTVBFTGHSHG-UHFFFAOYSA-N |
Product Overview
Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester (CAS 166273-37-6), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: (4-tert-butylphenyl) 5-hydroxypentanoate.
Chemical Property Profile of Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester
Property Insights of Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester
The XLogP value of 3.3 indicates that Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 5-hydroxy-, p-t-butylphenyl 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 Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester?
The CAS number of Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester is 166273-37-6.
What is the molecular formula of Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester?
The molecular formula of Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester is C15H22O3.
What is the molecular weight of Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester?
The molecular weight of Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester is 250.16 g/mol.
Where can I buy Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester?
You can request a quote for Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 5-hydroxy-, p-t-butylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.