3-Methylpentyl hexanoate
TL;DR: 3-Methylpentyl hexanoate (CAS 84254-86-4) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpentyl hexanoate
Also Known As: 3-Methylpentyl hexanoate, 3-Ethylbutyl hexanoate, 3-methyl pentyl hexanoate, EINECS 282-532-5, Hexanoic acid 3-methylpentyl ester
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 3.5461 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 143.25716 |
Chemical Identifiers
| CAS Number | 84254-86-4 |
|---|---|
| SMILES | CCCCCC(=O)OCCC(C)CC |
Product Overview
3-Methylpentyl hexanoate (CAS 84254-86-4), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 3-methylpentyl hexanoate.
Chemical Property Profile of 3-Methylpentyl hexanoate
Property Insights of 3-Methylpentyl hexanoate
The XLogP value of 3.5461 indicates that 3-Methylpentyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylpentyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylpentyl hexanoate 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 3-Methylpentyl hexanoate?
The CAS number of 3-Methylpentyl hexanoate is 84254-86-4.
What is the molecular formula of 3-Methylpentyl hexanoate?
The molecular formula of 3-Methylpentyl hexanoate is C12H24O2.
What is the molecular weight of 3-Methylpentyl hexanoate?
The molecular weight of 3-Methylpentyl hexanoate is 200.18 g/mol.
Where can I buy 3-Methylpentyl hexanoate?
You can request a quote for 3-Methylpentyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylpentyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylpentyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.