Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate
TL;DR: Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate (CAS 86101-66-8) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(cyclopropanecarbonyl)cyclopropane-1-carboxylate
Also Known As: methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate, methyl 1-(cyclopropanecarbonyl)cyclopropane-1-carboxylate, cyclopropanecarboxylic acid, 1-(cyclopropylcarbonyl)-, methyl ester, RefChem:157139, InChI=1/C9H12O3/c1-12-8(11)9(4-5-9)7(10)6-2-3-6/h6H,2-5H2,1H
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 86101-66-8 |
|---|---|
| SMILES | COC(=O)C1(CC1)C(=O)C2CC2 |
| InChIKey | UQKSQTQLVDTPAT-UHFFFAOYSA-N |
Product Overview
Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate (CAS 86101-66-8), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: methyl 1-(cyclopropanecarbonyl)cyclopropane-1-carboxylate.
Chemical Property Profile of Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate
Property Insights of Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate has 0 hydrogen bond donor(s) and 3 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 1-(cyclopropylcarbonyl)cyclopropanecarboxylate?
The CAS number of Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate is 86101-66-8.
What is the molecular formula of Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate?
The molecular formula of Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate is C9H12O3.
What is the molecular weight of Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate?
The molecular weight of Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate is 168.08 g/mol.
Where can I buy Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate?
You can request a quote for Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(cyclopropylcarbonyl)cyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.