2-(2,2-Dichlorocyclopropyl)acetonitrile
TL;DR: 2-(2,2-Dichlorocyclopropyl)acetonitrile (CAS 5365-25-3) is a chemical compound with molecular formula C5H5Cl2N and molecular weight 148.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dichlorocyclopropyl)acetonitrile
Also Known As: 2-(2,2-dichlorocyclopropyl)acetonitrile, 2,2-Dichlorocyclopropylacetonitrile, (2,2-Dichlorocyclopropyl)acetonitrile, 2,2-Dichlorocyclopropaneacetonitrile, 1,1-dichloro-2-(cyanomethyl)cyclopropane
| Molecular Formula | C5H5Cl2N |
|---|---|
| Molecular Weight | 148.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.9799 |
| Heavy Atoms | 8 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 5365-25-3 |
|---|---|
| SMILES | C1C(C1(Cl)Cl)CC#N |
| InChIKey | METYSMJJRFRDPP-UHFFFAOYSA-N |
Product Overview
2-(2,2-Dichlorocyclopropyl)acetonitrile (CAS 5365-25-3), with molecular formula C5H5Cl2N and molecular weight 148.98 g/mol. IUPAC: 2-(2,2-dichlorocyclopropyl)acetonitrile.
Chemical Property Profile of 2-(2,2-Dichlorocyclopropyl)acetonitrile
Property Insights of 2-(2,2-Dichlorocyclopropyl)acetonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dichlorocyclopropyl)acetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(2,2-Dichlorocyclopropyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Dichlorocyclopropyl)acetonitrile has 0 hydrogen bond donor(s) and 1 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 2-(2,2-Dichlorocyclopropyl)acetonitrile?
The CAS number of 2-(2,2-Dichlorocyclopropyl)acetonitrile is 5365-25-3.
What is the molecular formula of 2-(2,2-Dichlorocyclopropyl)acetonitrile?
The molecular formula of 2-(2,2-Dichlorocyclopropyl)acetonitrile is C5H5Cl2N.
What is the molecular weight of 2-(2,2-Dichlorocyclopropyl)acetonitrile?
The molecular weight of 2-(2,2-Dichlorocyclopropyl)acetonitrile is 148.98 g/mol.
Where can I buy 2-(2,2-Dichlorocyclopropyl)acetonitrile?
You can request a quote for 2-(2,2-Dichlorocyclopropyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dichlorocyclopropyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dichlorocyclopropyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.