Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate
TL;DR: Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate (CAS 799773-25-4) is a chemical compound with molecular formula C13H20Br2O4 and molecular weight 397.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate
Also Known As: di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate, ditert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate
| Molecular Formula | C13H20Br2O4 |
|---|---|
| Molecular Weight | 397.97 g/mol |
| LogP | 3.546 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.97284 |
| Heavy Atoms | 19 |
| Complexity | 373.84674 |
Chemical Identifiers
| CAS Number | 799773-25-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1(CC1(Br)Br)C(=O)OC(C)(C)C |
Product Overview
Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate (CAS 799773-25-4), with molecular formula C13H20Br2O4 and molecular weight 397.97 g/mol. IUPAC: ditert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate.
Chemical Property Profile of Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate
Property Insights of Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate
The XLogP value of 3.546 indicates that Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate 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 Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate?
The CAS number of Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate is 799773-25-4.
What is the molecular formula of Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate?
The molecular formula of Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate is C13H20Br2O4.
What is the molecular weight of Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate?
The molecular weight of Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate is 397.97 g/mol.
Where can I buy Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate?
You can request a quote for Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyl 2,2-dibromocyclopropane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.