Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester
TL;DR: Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester (CAS 59697-80-2) 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.
ethyl 2-ethyl-2-[hydroxy(phenyl)methyl]butanoate
Also Known As: MC 2339, 2-Ethyl-2-(alpha-hydroxybenzyl)butyric acid, ethyl ester, ethyl 2-ethyl-2-[hydroxy(phenyl)methyl]butanoate, 4-10-00-00756 (Beilstein Handbook Reference), BUTYRIC ACID, 2-ETHYL-2-(alpha-HYDROXYBENZYL)-, ETHYL ESTER
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 2.9 |
| 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 | 252.0 |
Chemical Identifiers
| CAS Number | 59697-80-2 |
|---|---|
| SMILES | CCC(CC)(C(C1=CC=CC=C1)O)C(=O)OCC |
| InChIKey | FWOOQMMHLXHORO-UHFFFAOYSA-N |
Product Overview
Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester (CAS 59697-80-2), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: ethyl 2-ethyl-2-[hydroxy(phenyl)methyl]butanoate.
Chemical Property Profile of Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester
Property Insights of Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, 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 Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester?
The CAS number of Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester is 59697-80-2.
What is the molecular formula of Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester?
The molecular formula of Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester is C15H22O3.
What is the molecular weight of Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester?
The molecular weight of Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester is 250.16 g/mol.
Where can I buy Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester?
You can request a quote for Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 2-ethyl-2-(alpha-hydroxybenzyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.