Isobutyl cyclopropanecarboxylate
TL;DR: Isobutyl cyclopropanecarboxylate (CAS 64969-79-5) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl cyclopropanecarboxylate
Also Known As: Isobutyl cyclopropanecarboxylate, Isobutyl cyclopropanecarboxylate #, 2-methylpropyl cyclopropanecarboxylate, Cyclopropancarbonsure-2-methylpropylester, Cyclopropanecarboxylic acid,isobutyl ester
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 64969-79-5 |
|---|---|
| SMILES | CC(C)COC(=O)C1CC1 |
| InChIKey | ZIODMHXAGZXTJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl cyclopropanecarboxylate (CAS 64969-79-5), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 2-methylpropyl cyclopropanecarboxylate.
Chemical Property Profile of Isobutyl cyclopropanecarboxylate
Property Insights of Isobutyl cyclopropanecarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl cyclopropanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl cyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl cyclopropanecarboxylate 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 Isobutyl cyclopropanecarboxylate?
The CAS number of Isobutyl cyclopropanecarboxylate is 64969-79-5.
What is the molecular formula of Isobutyl cyclopropanecarboxylate?
The molecular formula of Isobutyl cyclopropanecarboxylate is C8H14O2.
What is the molecular weight of Isobutyl cyclopropanecarboxylate?
The molecular weight of Isobutyl cyclopropanecarboxylate is 142.10 g/mol.
Where can I buy Isobutyl cyclopropanecarboxylate?
You can request a quote for Isobutyl cyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl cyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl cyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.