2,2-Dimethylpropane-1,3-diyl bisisobutyrate
TL;DR: 2,2-Dimethylpropane-1,3-diyl bisisobutyrate (CAS 63512-34-5) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] 2-methylpropanoate
Also Known As: 2,2-Dimethylpropane-1,3-diyl bisisobutyrate, 2,2-dimethylpropane-1,3-diylbisisobutyrate, 2,2-dimethylpropane-1,3-diyl bis(2-methylpropanoate), 1,3-Propanediol diisobutyrate, 2,2-dimethyl, [2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] 2-methylpropanoate
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 63512-34-5 |
|---|---|
| SMILES | CC(C)C(=O)OCC(C)(C)COC(=O)C(C)C |
| InChIKey | HACYJIJMLQDPDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethylpropane-1,3-diyl bisisobutyrate (CAS 63512-34-5), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: [2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] 2-methylpropanoate.
Chemical Property Profile of 2,2-Dimethylpropane-1,3-diyl bisisobutyrate
Property Insights of 2,2-Dimethylpropane-1,3-diyl bisisobutyrate
The XLogP value of 3.3 indicates that 2,2-Dimethylpropane-1,3-diyl bisisobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2-Dimethylpropane-1,3-diyl bisisobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropane-1,3-diyl bisisobutyrate has 0 hydrogen bond donor(s) and 4 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 2,2-Dimethylpropane-1,3-diyl bisisobutyrate?
The CAS number of 2,2-Dimethylpropane-1,3-diyl bisisobutyrate is 63512-34-5.
What is the molecular formula of 2,2-Dimethylpropane-1,3-diyl bisisobutyrate?
The molecular formula of 2,2-Dimethylpropane-1,3-diyl bisisobutyrate is C13H24O4.
What is the molecular weight of 2,2-Dimethylpropane-1,3-diyl bisisobutyrate?
The molecular weight of 2,2-Dimethylpropane-1,3-diyl bisisobutyrate is 244.17 g/mol.
Where can I buy 2,2-Dimethylpropane-1,3-diyl bisisobutyrate?
You can request a quote for 2,2-Dimethylpropane-1,3-diyl bisisobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpropane-1,3-diyl bisisobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropane-1,3-diyl bisisobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.