Propanoic acid, 2-methyl-, 3-methylpentyl ester
TL;DR: Propanoic acid, 2-methyl-, 3-methylpentyl ester (CAS 84254-84-2) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpentyl 2-methylpropanoate
Also Known As: 3-Methylpentyl isobutyrate, 3-methylpentyl 2-methylpropanoate, 3-methylpentylisobutyrate, EINECS 282-529-9, Propanoic acid, 2-methyl-, 3-methylpentyl ester
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.6218 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 129.80026 |
Chemical Identifiers
| CAS Number | 84254-84-2 |
|---|---|
| SMILES | CCC(C)CCOC(=O)C(C)C |
Product Overview
Propanoic acid, 2-methyl-, 3-methylpentyl ester (CAS 84254-84-2), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 3-methylpentyl 2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-, 3-methylpentyl ester
Property Insights of Propanoic acid, 2-methyl-, 3-methylpentyl ester
The XLogP value of 2.6218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-methyl-, 3-methylpentyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2-methyl-, 3-methylpentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-, 3-methylpentyl ester has 0 hydrogen bond donor(s) and 2 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-, 3-methylpentyl ester?
The CAS number of Propanoic acid, 2-methyl-, 3-methylpentyl ester is 84254-84-2.
What is the molecular formula of Propanoic acid, 2-methyl-, 3-methylpentyl ester?
The molecular formula of Propanoic acid, 2-methyl-, 3-methylpentyl ester is C10H20O2.
What is the molecular weight of Propanoic acid, 2-methyl-, 3-methylpentyl ester?
The molecular weight of Propanoic acid, 2-methyl-, 3-methylpentyl ester is 172.15 g/mol.
Where can I buy Propanoic acid, 2-methyl-, 3-methylpentyl ester?
You can request a quote for Propanoic acid, 2-methyl-, 3-methylpentyl 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-, 3-methylpentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-, 3-methylpentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.