Cyclopropylmethyl acetate
TL;DR: Cyclopropylmethyl acetate (CAS 36982-54-4) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopropylmethyl acetate
Also Known As: Cyclopropylmethyl acetate, Cyclopropylmethanol acetate, Acetoxymethylcyclopropane, (acetoxymethyl)cyclopropane, Cyclopropylmethyl acetate #
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 36982-54-4 |
|---|---|
| SMILES | CC(=O)OCC1CC1 |
| InChIKey | WIJKCDNTPKNICK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopropylmethyl acetate (CAS 36982-54-4), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: cyclopropylmethyl acetate.
Chemical Property Profile of Cyclopropylmethyl acetate
Property Insights of Cyclopropylmethyl acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropylmethyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopropylmethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropylmethyl acetate 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 Cyclopropylmethyl acetate?
The CAS number of Cyclopropylmethyl acetate is 36982-54-4.
What is the molecular formula of Cyclopropylmethyl acetate?
The molecular formula of Cyclopropylmethyl acetate is C6H10O2.
What is the molecular weight of Cyclopropylmethyl acetate?
The molecular weight of Cyclopropylmethyl acetate is 114.07 g/mol.
Where can I buy Cyclopropylmethyl acetate?
You can request a quote for Cyclopropylmethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropylmethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropylmethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.