Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester
TL;DR: Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester (CAS 74367-32-1) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate
Also Known As: 3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate, Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester, Propanoicacid,2-methyl-,2- -1-propylbutylester, 2-(Hydroxymethyl)-1-propylbutyl 2-methylpropanoate, 2-(Hydroxymethyl)-1-propylbutyl 2-methylpropanoate #
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 74367-32-1 |
|---|---|
| SMILES | CCCC(C(CC)CO)OC(=O)C(C)C |
| InChIKey | SXNNFRPGPOKUEN-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester (CAS 74367-32-1), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: 3-(hydroxymethyl)heptan-4-yl 2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester
Property Insights of Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl 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 Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester?
The CAS number of Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester is 74367-32-1.
What is the molecular formula of Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester?
The molecular formula of Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester is C12H24O3.
What is the molecular weight of Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester?
The molecular weight of Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester is 216.17 g/mol.
Where can I buy Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester?
You can request a quote for Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl 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, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-, 2-(hydroxymethyl)-1-propylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.