2,2-二甲基-1,3-丙二醇二丁酸酯
TL;DR: 2,2-二甲基-1,3-丙二醇二丁酸酯 (CAS 5333-63-1) 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.
2,2-二甲基-1,3-丙二醇二丁酸酯
3-butanoyloxypropyl 2,2-dimethylbutanoate
Also Known As: AI3-19843, 3-(butanoyloxy)propyl 2,2-dimethylbutanoate, 2,2-Dimethylpropane-1,3-diyl dibutyrate, 3-butanoyloxypropyl 2,2-dimethylbutanoate, Butanoic acid, 2,2-dimethyl-1,3-propanediyl ester
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 5333-63-1 |
|---|---|
| SMILES | CCCC(=O)OCCCOC(=O)C(C)(C)CC |
| InChIKey | JOGDMXANTFINBV-UHFFFAOYSA-N |
Product Overview
2,2-二甲基-1,3-丙二醇二丁酸酯 (CAS 5333-63-1), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: 3-butanoyloxypropyl 2,2-dimethylbutanoate.
Chemical Property Profile of 2,2-二甲基-1,3-丙二醇二丁酸酯
Property Insights of 2,2-二甲基-1,3-丙二醇二丁酸酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二甲基-1,3-丙二醇二丁酸酯. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2-二甲基-1,3-丙二醇二丁酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二甲基-1,3-丙二醇二丁酸酯 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 2,2-二甲基-1,3-丙二醇二丁酸酯?
The CAS number of 2,2-二甲基-1,3-丙二醇二丁酸酯 is 5333-63-1.
What is the molecular formula of 2,2-二甲基-1,3-丙二醇二丁酸酯?
The molecular formula of 2,2-二甲基-1,3-丙二醇二丁酸酯 is C13H24O4.
What is the molecular weight of 2,2-二甲基-1,3-丙二醇二丁酸酯?
The molecular weight of 2,2-二甲基-1,3-丙二醇二丁酸酯 is 244.17 g/mol.
Where can I buy 2,2-二甲基-1,3-丙二醇二丁酸酯?
You can request a quote for 2,2-二甲基-1,3-丙二醇二丁酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二甲基-1,3-丙二醇二丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二甲基-1,3-丙二醇二丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.