Isopropyl cyclopropane carboxyliate
TL;DR: Isopropyl cyclopropane carboxyliate (CAS 6887-83-8) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl cyclopropanecarboxylate
Also Known As: Isopropyl cyclopropanecarboxylate, propan-2-yl cyclopropanecarboxylate, ISOPROPYL CYCLOPROPANE CARBOXYLATE, Isopropyl cyclopropane carboxyliate, Isopropylcyclopropanecarboxylate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 6887-83-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1CC1 |
| InChIKey | QEYGAMYURHNUMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl cyclopropane carboxyliate (CAS 6887-83-8), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: propan-2-yl cyclopropanecarboxylate.
Chemical Property Profile of Isopropyl cyclopropane carboxyliate
Property Insights of Isopropyl cyclopropane carboxyliate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl cyclopropane carboxyliate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl cyclopropane carboxyliate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl cyclopropane carboxyliate 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 Isopropyl cyclopropane carboxyliate?
The CAS number of Isopropyl cyclopropane carboxyliate is 6887-83-8.
What is the molecular formula of Isopropyl cyclopropane carboxyliate?
The molecular formula of Isopropyl cyclopropane carboxyliate is C7H12O2.
What is the molecular weight of Isopropyl cyclopropane carboxyliate?
The molecular weight of Isopropyl cyclopropane carboxyliate is 128.08 g/mol.
Where can I buy Isopropyl cyclopropane carboxyliate?
You can request a quote for Isopropyl cyclopropane carboxyliate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl cyclopropane carboxyliate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl cyclopropane carboxyliate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.