1,2-Dimethylpropyl 2-methylbutyrate
TL;DR: 1,2-Dimethylpropyl 2-methylbutyrate (CAS 84696-83-3) 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.
3-methylbutan-2-yl 2-methylbutanoate
Also Known As: 3-methylbutan-2-yl 2-methylbutanoate, EINECS 283-690-8, 1,2-Dimethylpropyl 2-methylbutyrate, 2-Methylbutanoic acid 1,2-dimethylpropyl ester, Butanoic acid, 2-methyl-, 1,2-dimethylpropyl ester
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 2.6202 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 140.774 |
Chemical Identifiers
| CAS Number | 84696-83-3 |
|---|---|
| SMILES | CCC(C)C(=O)OC(C)C(C)C |
Product Overview
1,2-Dimethylpropyl 2-methylbutyrate (CAS 84696-83-3), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 3-methylbutan-2-yl 2-methylbutanoate.
Chemical Property Profile of 1,2-Dimethylpropyl 2-methylbutyrate
Property Insights of 1,2-Dimethylpropyl 2-methylbutyrate
The XLogP value of 2.6202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethylpropyl 2-methylbutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, 1,2-Dimethylpropyl 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethylpropyl 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 1,2-Dimethylpropyl 2-methylbutyrate?
The CAS number of 1,2-Dimethylpropyl 2-methylbutyrate is 84696-83-3.
What is the molecular formula of 1,2-Dimethylpropyl 2-methylbutyrate?
The molecular formula of 1,2-Dimethylpropyl 2-methylbutyrate is C10H20O2.
What is the molecular weight of 1,2-Dimethylpropyl 2-methylbutyrate?
The molecular weight of 1,2-Dimethylpropyl 2-methylbutyrate is 172.15 g/mol.
Where can I buy 1,2-Dimethylpropyl 2-methylbutyrate?
You can request a quote for 1,2-Dimethylpropyl 2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethylpropyl 2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethylpropyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.