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Bicyclo[3.1.0]hexane-1-carbonitrile
TL;DR: Bicyclo[3.1.0]hexane-1-carbonitrile (CAS 31357-72-9) is a chemical compound with molecular formula C7H9N and molecular weight 107.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[3.1.0]hexane-1-carbonitrile
Also Known As: Bicyclo[3.1.0]hexane-1-carbonitrile, 1-Cyanobicyclo[3.1.0]hexane, 1-Cyan-bicyclo-<3.1.0>-hexan, Bicyclo(3.1.0)hexane-1-carbonitrile, bicyclo[3.1.0]hexane-5-carbonitrile
| Molecular Formula | C7H9N |
|---|---|
| Molecular Weight | 107.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.0735 |
| Heavy Atoms | 8 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 31357-72-9 |
|---|---|
| SMILES | C1CC2CC2(C1)C#N |
| InChIKey | WZMKNKUWNYXOEJ-UHFFFAOYSA-N |
Product Overview
Bicyclo[3.1.0]hexane-1-carbonitrile (CAS 31357-72-9), with molecular formula C7H9N and molecular weight 107.07 g/mol. IUPAC: bicyclo[3.1.0]hexane-1-carbonitrile.
Chemical Property Profile of Bicyclo[3.1.0]hexane-1-carbonitrile
Property Insights of Bicyclo[3.1.0]hexane-1-carbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[3.1.0]hexane-1-carbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Bicyclo[3.1.0]hexane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[3.1.0]hexane-1-carbonitrile 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 Bicyclo[3.1.0]hexane-1-carbonitrile?
The CAS number of Bicyclo[3.1.0]hexane-1-carbonitrile is 31357-72-9.
What is the molecular formula of Bicyclo[3.1.0]hexane-1-carbonitrile?
The molecular formula of Bicyclo[3.1.0]hexane-1-carbonitrile is C7H9N.
What is the molecular weight of Bicyclo[3.1.0]hexane-1-carbonitrile?
The molecular weight of Bicyclo[3.1.0]hexane-1-carbonitrile is 107.07 g/mol.
Where can I buy Bicyclo[3.1.0]hexane-1-carbonitrile?
You can request a quote for Bicyclo[3.1.0]hexane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[3.1.0]hexane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[3.1.0]hexane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.