Methyl 2-chloro-2-cyclopropylideneacetate
TL;DR: Methyl 2-chloro-2-cyclopropylideneacetate (CAS 82979-45-1) is a chemical compound with molecular formula C6H7ClO2 and molecular weight 146.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-2-cyclopropylideneacetate
Also Known As: methyl 2-chloro-2-cyclopropylideneacetate, Methyl chloro(cyclopropylidene)acetate, Acetic acid, chlorocyclopropylidene-, methyl ester, methyl 2-chloro-2-cyclopropylidene-acetate, methyl2-chloro-2-cyclopropylideneacetate
| Molecular Formula | C6H7ClO2 |
|---|---|
| Molecular Weight | 146.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.01346 |
| Heavy Atoms | 9 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 82979-45-1 |
|---|---|
| SMILES | COC(=O)C(=C1CC1)Cl |
| InChIKey | JHISBEHOSHGCCJ-UHFFFAOYSA-N |
Product Overview
Methyl 2-chloro-2-cyclopropylideneacetate (CAS 82979-45-1), with molecular formula C6H7ClO2 and molecular weight 146.01 g/mol. IUPAC: methyl 2-chloro-2-cyclopropylideneacetate.
Chemical Property Profile of Methyl 2-chloro-2-cyclopropylideneacetate
Property Insights of Methyl 2-chloro-2-cyclopropylideneacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloro-2-cyclopropylideneacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-chloro-2-cyclopropylideneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloro-2-cyclopropylideneacetate 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-chloro-2-cyclopropylideneacetate?
The CAS number of Methyl 2-chloro-2-cyclopropylideneacetate is 82979-45-1.
What is the molecular formula of Methyl 2-chloro-2-cyclopropylideneacetate?
The molecular formula of Methyl 2-chloro-2-cyclopropylideneacetate is C6H7ClO2.
What is the molecular weight of Methyl 2-chloro-2-cyclopropylideneacetate?
The molecular weight of Methyl 2-chloro-2-cyclopropylideneacetate is 146.01 g/mol.
Where can I buy Methyl 2-chloro-2-cyclopropylideneacetate?
You can request a quote for Methyl 2-chloro-2-cyclopropylideneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloro-2-cyclopropylideneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloro-2-cyclopropylideneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.