Pentan-3-yl 2-methylpentanoate
TL;DR: Pentan-3-yl 2-methylpentanoate (CAS 75291-69-9) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-3-yl 2-methylpentanoate
Also Known As: pentan-3-yl 2-methylpentanoate, pentan-3-yl2-methylpentanoate, Pentanoic acid,2-methyl-, 1-ethylpropyl ester
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 75291-69-9 |
|---|---|
| SMILES | CCCC(C)C(=O)OC(CC)CC |
| InChIKey | WZWDAEXFRFUZEW-UHFFFAOYSA-N |
Product Overview
Pentan-3-yl 2-methylpentanoate (CAS 75291-69-9), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: pentan-3-yl 2-methylpentanoate.
Chemical Property Profile of Pentan-3-yl 2-methylpentanoate
Property Insights of Pentan-3-yl 2-methylpentanoate
The XLogP value of 3.9 indicates that Pentan-3-yl 2-methylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentan-3-yl 2-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentan-3-yl 2-methylpentanoate 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 Pentan-3-yl 2-methylpentanoate?
The CAS number of Pentan-3-yl 2-methylpentanoate is 75291-69-9.
What is the molecular formula of Pentan-3-yl 2-methylpentanoate?
The molecular formula of Pentan-3-yl 2-methylpentanoate is C11H22O2.
What is the molecular weight of Pentan-3-yl 2-methylpentanoate?
The molecular weight of Pentan-3-yl 2-methylpentanoate is 186.16 g/mol.
Where can I buy Pentan-3-yl 2-methylpentanoate?
You can request a quote for Pentan-3-yl 2-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentan-3-yl 2-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentan-3-yl 2-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.