2-Methylbutyl isovalerate
TL;DR: 2-Methylbutyl isovalerate (CAS 2445-77-4) 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-methylbutyl 3-methylbutanoate
Also Known As: 2-Methylbutyl isovalerate, 2-Methylbutyl 3-methylbutanoate, 2-Methylbutyl isopentanoate, 2-methylbutylisovalerate, 2-Methylbutyl isovalerianate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.1 |
| 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 |
| Boiling Point | 191.00 to 195.00 °C. @ 760.00 mm Hg |
| Density | 0.852-0.857 |
| Refractive Index | 1.394 |
Chemical Identifiers
| CAS Number | 2445-77-4 |
|---|---|
| SMILES | CCC(C)COC(=O)CC(C)C |
| InChIKey | CYGPPWVXOWCHJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylbutyl isovalerate (CAS 2445-77-4), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2-methylbutyl 3-methylbutanoate.
Chemical Property Profile of 2-Methylbutyl isovalerate
Property Insights of 2-Methylbutyl isovalerate
The XLogP value of 3.1 indicates that 2-Methylbutyl isovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylbutyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutyl isovalerate 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 2-Methylbutyl isovalerate?
The CAS number of 2-Methylbutyl isovalerate is 2445-77-4.
What is the molecular formula of 2-Methylbutyl isovalerate?
The molecular formula of 2-Methylbutyl isovalerate is C10H20O2.
What is the molecular weight of 2-Methylbutyl isovalerate?
The molecular weight of 2-Methylbutyl isovalerate is 172.15 g/mol.
Where can I buy 2-Methylbutyl isovalerate?
You can request a quote for 2-Methylbutyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbutyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.