Fumaric acid, alpha-butylbenzyl ester
TL;DR: Fumaric acid, alpha-butylbenzyl ester (CAS 97405-37-3) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-oxo-4-(1-phenylpentoxy)but-2-enoic acid
Also Known As: alpha-Butylbenzyl ester of fumaric acid, FUMARIC ACID, alpha-BUTYLBENZYL ESTER, (Z)-4-oxo-4-(1-phenylpentoxy)but-2-enoic acid, RefChem:1085579, BRN 2536123
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 3.1019 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 436.71863 |
Chemical Identifiers
| CAS Number | 97405-37-3 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)OC(=O)/C=C\C(=O)O |
Product Overview
Fumaric acid, alpha-butylbenzyl ester (CAS 97405-37-3), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: (Z)-4-oxo-4-(1-phenylpentoxy)but-2-enoic acid.
Chemical Property Profile of Fumaric acid, alpha-butylbenzyl ester
Property Insights of Fumaric acid, alpha-butylbenzyl ester
The XLogP value of 3.1019 indicates that Fumaric 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 Fumaric acid, alpha-butylbenzyl ester. Following Lipinski's Rule of Five, Fumaric 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 Fumaric acid, alpha-butylbenzyl ester?
The CAS number of Fumaric acid, alpha-butylbenzyl ester is 97405-37-3.
What is the molecular formula of Fumaric acid, alpha-butylbenzyl ester?
The molecular formula of Fumaric acid, alpha-butylbenzyl ester is C15H18O4.
What is the molecular weight of Fumaric acid, alpha-butylbenzyl ester?
The molecular weight of Fumaric acid, alpha-butylbenzyl ester is 262.12 g/mol.
Where can I buy Fumaric acid, alpha-butylbenzyl ester?
You can request a quote for Fumaric 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 Fumaric acid, alpha-butylbenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Fumaric acid, alpha-butylbenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.