Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate
TL;DR: Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate (CAS 39872-18-9) is a chemical compound with molecular formula C10H16Cl2O2 and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate
Also Known As: tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate, tert-butyl 2,2-dichloro-3,3-dimethylcyclopropanecarboxylate, 2,2-Dichloro-3,3-dimethylcyclopropane-1-carboxylic acid tert-butyl ester
| Molecular Formula | C10H16Cl2O2 |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 3.158 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.05273 |
| Heavy Atoms | 14 |
| Complexity | 249.78578 |
Chemical Identifiers
| CAS Number | 39872-18-9 |
|---|---|
| SMILES | CC1(C(C1(Cl)Cl)C(=O)OC(C)(C)C)C |
Product Overview
Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate (CAS 39872-18-9), with molecular formula C10H16Cl2O2 and molecular weight 238.05 g/mol. IUPAC: tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate
Property Insights of Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate
The XLogP value of 3.158 indicates that Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate 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 Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate?
The CAS number of Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate is 39872-18-9.
What is the molecular formula of Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate?
The molecular formula of Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate is C10H16Cl2O2.
What is the molecular weight of Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate?
The molecular weight of Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate is 238.05 g/mol.
Where can I buy Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate?
You can request a quote for Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2,2-dichloro-3,3-dimethylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.