2-Hydroxy-2-methyl-3-butenoic acid
TL;DR: 2-Hydroxy-2-methyl-3-butenoic acid (CAS 36406-33-4) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-methylbut-3-enoic acid
Also Known As: 2-hydroxy-2-methylbut-3-enoic acid, vinyllactic acid, Athylenmilchsaure, 2-Hmba, vinyl-lactic acid
| Molecular Formula | C5H8O3 |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.04734 |
| Heavy Atoms | 8 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 36406-33-4 |
|---|---|
| SMILES | CC(C=C)(C(=O)O)O |
| InChIKey | SXQCPXKZTFJHQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-2-methyl-3-butenoic acid (CAS 36406-33-4), with molecular formula C5H8O3 and molecular weight 116.05 g/mol. IUPAC: 2-hydroxy-2-methylbut-3-enoic acid.
Chemical Property Profile of 2-Hydroxy-2-methyl-3-butenoic acid
Property Insights of 2-Hydroxy-2-methyl-3-butenoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-2-methyl-3-butenoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 2-Hydroxy-2-methyl-3-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-2-methyl-3-butenoic 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 2-Hydroxy-2-methyl-3-butenoic acid?
The CAS number of 2-Hydroxy-2-methyl-3-butenoic acid is 36406-33-4.
What is the molecular formula of 2-Hydroxy-2-methyl-3-butenoic acid?
The molecular formula of 2-Hydroxy-2-methyl-3-butenoic acid is C5H8O3.
What is the molecular weight of 2-Hydroxy-2-methyl-3-butenoic acid?
The molecular weight of 2-Hydroxy-2-methyl-3-butenoic acid is 116.05 g/mol.
Where can I buy 2-Hydroxy-2-methyl-3-butenoic acid?
You can request a quote for 2-Hydroxy-2-methyl-3-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-2-methyl-3-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2-methyl-3-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.