4-Methylpentan-2-yl 3-methylbutanoate
TL;DR: 4-Methylpentan-2-yl 3-methylbutanoate (CAS 58165-60-9) 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.
4-methylpentan-2-yl 3-methylbutanoate
Also Known As: 4-methylpentan-2-yl 3-methylbutanoate, isovaleric acid-(1,3-dimethyl-butyl ester), Butanoic acid,3-methyl-, 1,3-dimethylbutyl ester, 3-METHYLBUTANOIC ACID,3-DIMETHYLBUTYL ESTER
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 58165-60-9 |
|---|---|
| SMILES | CC(C)CC(C)OC(=O)CC(C)C |
| InChIKey | NZEOVKAVEXLHRW-UHFFFAOYSA-N |
Product Overview
4-Methylpentan-2-yl 3-methylbutanoate (CAS 58165-60-9), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 4-methylpentan-2-yl 3-methylbutanoate.
Chemical Property Profile of 4-Methylpentan-2-yl 3-methylbutanoate
Property Insights of 4-Methylpentan-2-yl 3-methylbutanoate
The XLogP value of 3.5 indicates that 4-Methylpentan-2-yl 3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylpentan-2-yl 3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpentan-2-yl 3-methylbutanoate 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 4-Methylpentan-2-yl 3-methylbutanoate?
The CAS number of 4-Methylpentan-2-yl 3-methylbutanoate is 58165-60-9.
What is the molecular formula of 4-Methylpentan-2-yl 3-methylbutanoate?
The molecular formula of 4-Methylpentan-2-yl 3-methylbutanoate is C11H22O2.
What is the molecular weight of 4-Methylpentan-2-yl 3-methylbutanoate?
The molecular weight of 4-Methylpentan-2-yl 3-methylbutanoate is 186.16 g/mol.
Where can I buy 4-Methylpentan-2-yl 3-methylbutanoate?
You can request a quote for 4-Methylpentan-2-yl 3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylpentan-2-yl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpentan-2-yl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.