Acetic acid, dichloro-, 1,1-dimethylpropyl ester
TL;DR: Acetic acid, dichloro-, 1,1-dimethylpropyl ester (CAS 90380-53-3) is a chemical compound with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutan-2-yl 2,2-dichloroacetate
Also Known As: tert-pentyl 2,2-dichloroacetate, 2-Methylbutan-2-yl dichloroacetate, Dichlor-essigsaeure-tert-pentylester, 2-methylbutan-2-yl 2,2-dichloroacetate, Acetic acid, dichloro, 1,1-dimethylpropyl ester
| Molecular Formula | C7H12Cl2O2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 2.5219 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.02144 |
| Heavy Atoms | 11 |
| Complexity | 143.376 |
Chemical Identifiers
| CAS Number | 90380-53-3 |
|---|---|
| SMILES | CCC(C)(C)OC(=O)C(Cl)Cl |
Product Overview
Acetic acid, dichloro-, 1,1-dimethylpropyl ester (CAS 90380-53-3), with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol. IUPAC: 2-methylbutan-2-yl 2,2-dichloroacetate.
Chemical Property Profile of Acetic acid, dichloro-, 1,1-dimethylpropyl ester
Property Insights of Acetic acid, dichloro-, 1,1-dimethylpropyl ester
The XLogP value of 2.5219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, dichloro-, 1,1-dimethylpropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, dichloro-, 1,1-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, dichloro-, 1,1-dimethylpropyl ester 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 Acetic acid, dichloro-, 1,1-dimethylpropyl ester?
The CAS number of Acetic acid, dichloro-, 1,1-dimethylpropyl ester is 90380-53-3.
What is the molecular formula of Acetic acid, dichloro-, 1,1-dimethylpropyl ester?
The molecular formula of Acetic acid, dichloro-, 1,1-dimethylpropyl ester is C7H12Cl2O2.
What is the molecular weight of Acetic acid, dichloro-, 1,1-dimethylpropyl ester?
The molecular weight of Acetic acid, dichloro-, 1,1-dimethylpropyl ester is 198.02 g/mol.
Where can I buy Acetic acid, dichloro-, 1,1-dimethylpropyl ester?
You can request a quote for Acetic acid, dichloro-, 1,1-dimethylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, dichloro-, 1,1-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, dichloro-, 1,1-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.