1-Methylpentyl butanoate
TL;DR: 1-Methylpentyl butanoate (CAS 88262-38-8) 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.
hexan-2-yl butanoate
Also Known As: 2-Hexanol butanoate, hexan-2-yl butanoate, 2-hexyl butanoate, 2-HEXYL BUTYRATE, 1-Methylpentyl butanoate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 88262-38-8 |
|---|---|
| SMILES | CCCCC(C)OC(=O)CCC |
| InChIKey | LRUMZDICEGQZIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylpentyl butanoate (CAS 88262-38-8), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: hexan-2-yl butanoate.
Chemical Property Profile of 1-Methylpentyl butanoate
Property Insights of 1-Methylpentyl butanoate
The XLogP value of 3.2 indicates that 1-Methylpentyl butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methylpentyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpentyl butanoate 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 1-Methylpentyl butanoate?
The CAS number of 1-Methylpentyl butanoate is 88262-38-8.
What is the molecular formula of 1-Methylpentyl butanoate?
The molecular formula of 1-Methylpentyl butanoate is C10H20O2.
What is the molecular weight of 1-Methylpentyl butanoate?
The molecular weight of 1-Methylpentyl butanoate is 172.15 g/mol.
Where can I buy 1-Methylpentyl butanoate?
You can request a quote for 1-Methylpentyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpentyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpentyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.