Isobutyl 2-methylvalerate
TL;DR: Isobutyl 2-methylvalerate (CAS 6957-85-3) 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.
2-methylpropyl 2-methylpentanoate
Also Known As: Isobutyl 2-methylvalerate, 2-methylpropyl 2-methylpentanoate, Isobutyl 2-methylpentanoate, Isobutyl 2-methylpentanoate #, VSNXGQJZBDUEOD-UHFFFAOYSA-
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 6957-85-3 |
|---|---|
| SMILES | CCCC(C)C(=O)OCC(C)C |
| InChIKey | VSNXGQJZBDUEOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl 2-methylvalerate (CAS 6957-85-3), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2-methylpropyl 2-methylpentanoate.
Chemical Property Profile of Isobutyl 2-methylvalerate
Property Insights of Isobutyl 2-methylvalerate
The XLogP value of 3.4 indicates that Isobutyl 2-methylvalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl 2-methylvalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 2-methylvalerate 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 Isobutyl 2-methylvalerate?
The CAS number of Isobutyl 2-methylvalerate is 6957-85-3.
What is the molecular formula of Isobutyl 2-methylvalerate?
The molecular formula of Isobutyl 2-methylvalerate is C10H20O2.
What is the molecular weight of Isobutyl 2-methylvalerate?
The molecular weight of Isobutyl 2-methylvalerate is 172.15 g/mol.
Where can I buy Isobutyl 2-methylvalerate?
You can request a quote for Isobutyl 2-methylvalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-methylvalerate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-methylvalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.