Glutaric acid, alpha-butylbenzyl ester
TL;DR: Glutaric acid, alpha-butylbenzyl ester (CAS 50802-76-1) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-5-(1-phenylpentoxy)pentanoic acid
Also Known As: Glutaric acid, alpha-butylbenzyl ester, AF 457, alpha-Butylbenzyl ester of glutaric acid, 5-Oxo-5-[(1-phenylpentyl)oxy]pentanoic acid, 5-oxo-5-(1-phenylpentoxy)pentanoic acid
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 3.716 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 413.74487 |
Chemical Identifiers
| CAS Number | 50802-76-1 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)OC(=O)CCCC(=O)O |
Product Overview
Glutaric acid, alpha-butylbenzyl ester (CAS 50802-76-1), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: 5-oxo-5-(1-phenylpentoxy)pentanoic acid.
Chemical Property Profile of Glutaric acid, alpha-butylbenzyl ester
Property Insights of Glutaric acid, alpha-butylbenzyl ester
The XLogP value of 3.716 indicates that Glutaric acid, alpha-butylbenzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Glutaric acid, alpha-butylbenzyl ester. Following Lipinski's Rule of Five, Glutaric acid, alpha-butylbenzyl 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 Glutaric acid, alpha-butylbenzyl ester?
The CAS number of Glutaric acid, alpha-butylbenzyl ester is 50802-76-1.
What is the molecular formula of Glutaric acid, alpha-butylbenzyl ester?
The molecular formula of Glutaric acid, alpha-butylbenzyl ester is C16H22O4.
What is the molecular weight of Glutaric acid, alpha-butylbenzyl ester?
The molecular weight of Glutaric acid, alpha-butylbenzyl ester is 278.15 g/mol.
Where can I buy Glutaric acid, alpha-butylbenzyl ester?
You can request a quote for Glutaric acid, alpha-butylbenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glutaric acid, alpha-butylbenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Glutaric acid, alpha-butylbenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.