2-Methylbutyl 2-methylbutyrate
TL;DR: 2-Methylbutyl 2-methylbutyrate (CAS 2445-78-5) 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 2-methylbutanoate
Also Known As: 2-Methylbutyl 2-methylbutanoate, 2-METHYLBUTYL 2-METHYLBUTYRATE, FEMA No. 3359, starbld0016613, Butanoic acid, 2-methyl-, 2-methylbutyl ester
| 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 | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
| Boiling Point | 70.00 to 72.00 °C. @ 11.00 mm Hg |
| Density | 0.854-0.864 |
| Refractive Index | 1.409-1.509 |
Chemical Identifiers
| CAS Number | 2445-78-5 |
|---|---|
| SMILES | CCC(C)COC(=O)C(C)CC |
| InChIKey | PVYFCGRBIREQLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylbutyl 2-methylbutyrate (CAS 2445-78-5), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2-methylbutyl 2-methylbutanoate.
Chemical Property Profile of 2-Methylbutyl 2-methylbutyrate
Property Insights of 2-Methylbutyl 2-methylbutyrate
The XLogP value of 3.2 indicates that 2-Methylbutyl 2-methylbutyrate 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 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutyl 2-methylbutyrate 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 2-methylbutyrate?
The CAS number of 2-Methylbutyl 2-methylbutyrate is 2445-78-5.
What is the molecular formula of 2-Methylbutyl 2-methylbutyrate?
The molecular formula of 2-Methylbutyl 2-methylbutyrate is C10H20O2.
What is the molecular weight of 2-Methylbutyl 2-methylbutyrate?
The molecular weight of 2-Methylbutyl 2-methylbutyrate is 172.15 g/mol.
Where can I buy 2-Methylbutyl 2-methylbutyrate?
You can request a quote for 2-Methylbutyl 2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbutyl 2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.