Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate
TL;DR: Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate (CAS 155687-14-2) is a chemical compound with molecular formula C10H15ClO4 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-tert-butyl 1-O-methyl 1-chlorocyclopropane-1,2-dicarboxylate
Also Known As: 1-Chloro-1,2-cyclopropanedicarboxylic acid 2-(tert-butyl) 1-methyl ester, methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate, O2-tert-butyl O1-methyl 1-chlorocyclopropane-1,2-dicarboxylate, 2-O-tert-butyl 1-O-methyl 1-chlorocyclopropane-1,2-dicarboxylate, 1,2-Cyclopropanedicarboxylic acid, 1-chloro-, 2-(1,1-dimethylethyl) 1-methyl ester
| Molecular Formula | C10H15ClO4 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | 1.4986 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.06589 |
| Heavy Atoms | 15 |
| Complexity | 294.28775 |
Chemical Identifiers
| CAS Number | 155687-14-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1CC1(C(=O)OC)Cl |
Product Overview
Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate (CAS 155687-14-2), with molecular formula C10H15ClO4 and molecular weight 234.07 g/mol. IUPAC: 2-O-tert-butyl 1-O-methyl 1-chlorocyclopropane-1,2-dicarboxylate.
Chemical Property Profile of Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate
Property Insights of Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate
The XLogP value of 1.4986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate 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 Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate?
The CAS number of Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate is 155687-14-2.
What is the molecular formula of Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate?
The molecular formula of Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate is C10H15ClO4.
What is the molecular weight of Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate?
The molecular weight of Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate is 234.07 g/mol.
Where can I buy Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate?
You can request a quote for Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-tert-butoxycarbonyl-1-chloro-1-cyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.