Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester
TL;DR: Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester (CAS 63468-00-8) is a chemical compound with molecular formula C8H16O4 and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
Also Known As: Urcin, Propyl 2,2-di(hydroxymethyl)propionate, N-anilino-N',N''-diphenyl-guanidine, 3-hydroxy-2-2-methylpropanoicacidpropylester, propyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
| Molecular Formula | C8H16O4 |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.10486 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 63468-00-8 |
|---|---|
| SMILES | CCCOC(=O)C(C)(CO)CO |
| InChIKey | WKKSVSCQYZLNJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester (CAS 63468-00-8), with molecular formula C8H16O4 and molecular weight 176.10 g/mol. IUPAC: propyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester
Property Insights of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester. 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-, propyl ester. Following Lipinski's Rule of Five, Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl 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-, propyl ester?
The CAS number of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester is 63468-00-8.
What is the molecular formula of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester?
The molecular formula of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester is C8H16O4.
What is the molecular weight of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester?
The molecular weight of Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester is 176.10 g/mol.
Where can I buy Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester?
You can request a quote for Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl 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-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.