1,1-Diacetylcyclopropane
TL;DR: 1,1-Diacetylcyclopropane (CAS 6972-38-9) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-acetylcyclopropyl)ethanone
Also Known As: 1,1-DIACETYLCYCLOPROPANE, 1-(1-acetylcyclopropyl)ethanone, DIACETYLCYCLOPROPANE, 1-(1-acetyl-cyclopropyl)-ethanone, 1,1'-cyclopropane-1,1-diyldiethanone
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 6972-38-9 |
|---|---|
| SMILES | CC(=O)C1(CC1)C(=O)C |
| InChIKey | KLELEQGKTUGEPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Diacetylcyclopropane (CAS 6972-38-9), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 1-(1-acetylcyclopropyl)ethanone.
Chemical Property Profile of 1,1-Diacetylcyclopropane
Property Insights of 1,1-Diacetylcyclopropane
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diacetylcyclopropane. With a topological polar surface area (TPSA) of 34.1 Ų, 1,1-Diacetylcyclopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diacetylcyclopropane 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 1,1-Diacetylcyclopropane?
The CAS number of 1,1-Diacetylcyclopropane is 6972-38-9.
What is the molecular formula of 1,1-Diacetylcyclopropane?
The molecular formula of 1,1-Diacetylcyclopropane is C7H10O2.
What is the molecular weight of 1,1-Diacetylcyclopropane?
The molecular weight of 1,1-Diacetylcyclopropane is 126.07 g/mol.
Where can I buy 1,1-Diacetylcyclopropane?
You can request a quote for 1,1-Diacetylcyclopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diacetylcyclopropane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diacetylcyclopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.