Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate
TL;DR: Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate (CAS 1447-13-8) is a chemical compound with molecular formula C6H8Cl2O2 and molecular weight 181.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dichloro-1-methylcyclopropane-1-carboxylate
Also Known As: Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate, methyl 2,2-dichloro-1-methylcyclopropane-1-carboxylate, CYCLOPROPANECARBOXYLIC ACID, 2,2-DICHLORO-1-METHYL-, METHYL ESTER, 2-carbomethoxy-1,1-dichloro-2-methylcyclopropane, Methyl2,2-dichloro-1-methylcyclopropanecarboxylate
| Molecular Formula | C6H8Cl2O2 |
|---|---|
| Molecular Weight | 181.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.99013 |
| Heavy Atoms | 10 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 1447-13-8 |
|---|---|
| SMILES | CC1(CC1(Cl)Cl)C(=O)OC |
| InChIKey | JGCAZFUFORGMFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate (CAS 1447-13-8), with molecular formula C6H8Cl2O2 and molecular weight 181.99 g/mol. IUPAC: methyl 2,2-dichloro-1-methylcyclopropane-1-carboxylate.
Chemical Property Profile of Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate
Property Insights of Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate 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 Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate?
The CAS number of Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate is 1447-13-8.
What is the molecular formula of Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate?
The molecular formula of Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate is C6H8Cl2O2.
What is the molecular weight of Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate?
The molecular weight of Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate is 181.99 g/mol.
Where can I buy Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate?
You can request a quote for Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.