(1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile
TL;DR: (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile (CAS 138512-75-1) is a chemical compound with molecular formula C10H15NO and molecular weight 165.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile
Also Known As: 2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile, (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile, Cyclobutaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1R-cis)- (9CI), [(1R,3R)-3-Acetyl-2,2-dimethylcyclobutyl]acetonitrile, (1R)-2,2-Dimethyl-3alpha-acetylcyclobutane-1alpha-acetonitrile
| Molecular Formula | C10H15NO |
|---|---|
| Molecular Weight | 165.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.11537 |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 138512-75-1 |
|---|---|
| SMILES | CC(=O)[C@@H]1C[C@@H](C1(C)C)CC#N |
| InChIKey | VILTYDDIGXXGBZ-IUCAKERBSA-N |
Product Overview
(1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile (CAS 138512-75-1), with molecular formula C10H15NO and molecular weight 165.12 g/mol. IUPAC: 2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile.
Chemical Property Profile of (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile
Property Insights of (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile 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 (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile?
The CAS number of (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile is 138512-75-1.
What is the molecular formula of (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile?
The molecular formula of (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile is C10H15NO.
What is the molecular weight of (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile?
The molecular weight of (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile is 165.12 g/mol.
Where can I buy (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile?
You can request a quote for (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.