Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester
TL;DR: Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester (CAS 17872-55-8) is a chemical compound with molecular formula C6H12O4 and molecular weight 148.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
Also Known As: Methyl 2,2-bis(hydroxymethyl)propionate, Methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate, Propionic acid, 2,2-bis(hydroxymethyl)-, methyl ester, Methyl 2,2-(hydroxymethyl)propionate, Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester
| Molecular Formula | C6H12O4 |
|---|---|
| Molecular Weight | 148.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.07356 |
| Heavy Atoms | 10 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 17872-55-8 |
|---|---|
| SMILES | CC(CO)(CO)C(=O)OC |
| InChIKey | RQEPEDPOJQCJJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester (CAS 17872-55-8), with molecular formula C6H12O4 and molecular weight 148.07 g/mol. IUPAC: methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester
Property Insights of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester
The XLogP value of -0.9 indicates that Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester. Following Lipinski's Rule of Five, Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester has 2 hydrogen bond donor(s) and 4 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 Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester?
The CAS number of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester is 17872-55-8.
What is the molecular formula of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester?
The molecular formula of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester is C6H12O4.
What is the molecular weight of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester?
The molecular weight of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester is 148.07 g/mol.
Where can I buy Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester?
You can request a quote for Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.