2,2-Dibromo-1-methylcyclopropanecarbonitrile
TL;DR: 2,2-Dibromo-1-methylcyclopropanecarbonitrile (CAS 63262-97-5) is a chemical compound with molecular formula C5H5Br2N and molecular weight 236.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibromo-1-methylcyclopropane-1-carbonitrile
Also Known As: 2,2-Dibromo-1-methylcyclopropanecarbonitrile, 2,2-dibromo-1-methylcyclopropane-1-carbonitrile, 1,1-dibromo-2-cyano-2-methylcyclo-propane, Cyclopropanecarbonitrile, 2,2-dibromo-1-methyl-, 2,2-Dibromo-1-methylcyclopropanecarbonitrile #
| Molecular Formula | C5H5Br2N |
|---|---|
| Molecular Weight | 236.88 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.87888 |
| Heavy Atoms | 8 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 63262-97-5 |
|---|---|
| SMILES | CC1(CC1(Br)Br)C#N |
| InChIKey | USNDLMWKPKVOAR-UHFFFAOYSA-N |
Product Overview
2,2-Dibromo-1-methylcyclopropanecarbonitrile (CAS 63262-97-5), with molecular formula C5H5Br2N and molecular weight 236.88 g/mol. IUPAC: 2,2-dibromo-1-methylcyclopropane-1-carbonitrile.
Chemical Property Profile of 2,2-Dibromo-1-methylcyclopropanecarbonitrile
Property Insights of 2,2-Dibromo-1-methylcyclopropanecarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dibromo-1-methylcyclopropanecarbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,2-Dibromo-1-methylcyclopropanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dibromo-1-methylcyclopropanecarbonitrile 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-Dibromo-1-methylcyclopropanecarbonitrile?
The CAS number of 2,2-Dibromo-1-methylcyclopropanecarbonitrile is 63262-97-5.
What is the molecular formula of 2,2-Dibromo-1-methylcyclopropanecarbonitrile?
The molecular formula of 2,2-Dibromo-1-methylcyclopropanecarbonitrile is C5H5Br2N.
What is the molecular weight of 2,2-Dibromo-1-methylcyclopropanecarbonitrile?
The molecular weight of 2,2-Dibromo-1-methylcyclopropanecarbonitrile is 236.88 g/mol.
Where can I buy 2,2-Dibromo-1-methylcyclopropanecarbonitrile?
You can request a quote for 2,2-Dibromo-1-methylcyclopropanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dibromo-1-methylcyclopropanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dibromo-1-methylcyclopropanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.