alpha-Hydroxy beta-benzal butyric acid
TL;DR: alpha-Hydroxy beta-benzal butyric acid (CAS 20271-42-5) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-methyl-4-phenylbut-3-enoic acid
Also Known As: alpha-hydroxy beta-benzal butyric acid, 2-hydroxy-3-methyl-4-phenylbut-3-enoic acid, (Z)-2-hydroxy-3-methyl-4-phenylbut-3-enoic acid
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 20271-42-5 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)C(C(=O)O)O |
| InChIKey | VUFKGDPLEMTHQN-UHFFFAOYSA-N |
Product Overview
alpha-Hydroxy beta-benzal butyric acid (CAS 20271-42-5), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 2-hydroxy-3-methyl-4-phenylbut-3-enoic acid.
Chemical Property Profile of alpha-Hydroxy beta-benzal butyric acid
Property Insights of alpha-Hydroxy beta-benzal butyric acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Hydroxy beta-benzal butyric acid. With a topological polar surface area (TPSA) of 57.5 Ų, alpha-Hydroxy beta-benzal butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Hydroxy beta-benzal butyric acid has 2 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 alpha-Hydroxy beta-benzal butyric acid?
The CAS number of alpha-Hydroxy beta-benzal butyric acid is 20271-42-5.
What is the molecular formula of alpha-Hydroxy beta-benzal butyric acid?
The molecular formula of alpha-Hydroxy beta-benzal butyric acid is C11H12O3.
What is the molecular weight of alpha-Hydroxy beta-benzal butyric acid?
The molecular weight of alpha-Hydroxy beta-benzal butyric acid is 192.08 g/mol.
Where can I buy alpha-Hydroxy beta-benzal butyric acid?
You can request a quote for alpha-Hydroxy beta-benzal butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Hydroxy beta-benzal butyric acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Hydroxy beta-benzal butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.