4-Methylpentyl isobutyrate
TL;DR: 4-Methylpentyl isobutyrate (CAS 35852-44-9) 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.
4-methylpentyl 2-methylpropanoate
Also Known As: 4-Methylpentyl isobutyrate, 4-methylpentyl 2-methylpropanoate, ISOHEXYL ISOBUTYRATE, EINECS 252-759-4, 4-Methyl-1-pentylisobutyrate
| 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 | 127.80027 |
Chemical Identifiers
| CAS Number | 35852-44-9 |
|---|---|
| SMILES | CC(C)CCCOC(=O)C(C)C |
Product Overview
4-Methylpentyl isobutyrate (CAS 35852-44-9), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 4-methylpentyl 2-methylpropanoate.
Chemical Property Profile of 4-Methylpentyl isobutyrate
Property Insights of 4-Methylpentyl isobutyrate
The XLogP value of 2.6218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylpentyl isobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylpentyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpentyl isobutyrate 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-Methylpentyl isobutyrate?
The CAS number of 4-Methylpentyl isobutyrate is 35852-44-9.
What is the molecular formula of 4-Methylpentyl isobutyrate?
The molecular formula of 4-Methylpentyl isobutyrate is C10H20O2.
What is the molecular weight of 4-Methylpentyl isobutyrate?
The molecular weight of 4-Methylpentyl isobutyrate is 172.15 g/mol.
Where can I buy 4-Methylpentyl isobutyrate?
You can request a quote for 4-Methylpentyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylpentyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpentyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.