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Bicyclo[1.1.0]butane-1-carbonitrile
TL;DR: Bicyclo[1.1.0]butane-1-carbonitrile (CAS 16955-35-4) is a chemical compound with molecular formula C5H5N and molecular weight 79.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[1.1.0]butane-1-carbonitrile
Also Known As: 1-Cyanobicyclo[1.1.0]butane, Bicyclo[1.1.0]butane-1-carbonitrile, 1-Cyanobicyclo<1,1,0>butan, Bicyclo(1.1.0)butane-1-carbonitrile, bicyclo[1.1.0]butane-3-carbonitrile
| Molecular Formula | C5H5N |
|---|---|
| Molecular Weight | 79.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 79.0422 |
| Heavy Atoms | 6 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 16955-35-4 |
|---|---|
| SMILES | C1C2C1(C2)C#N |
| InChIKey | BPPMXXJOMACYJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[1.1.0]butane-1-carbonitrile (CAS 16955-35-4), with molecular formula C5H5N and molecular weight 79.04 g/mol. IUPAC: bicyclo[1.1.0]butane-1-carbonitrile.
Chemical Property Profile of Bicyclo[1.1.0]butane-1-carbonitrile
Property Insights of Bicyclo[1.1.0]butane-1-carbonitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[1.1.0]butane-1-carbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Bicyclo[1.1.0]butane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[1.1.0]butane-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[1.1.0]butane-1-carbonitrile?
The CAS number of Bicyclo[1.1.0]butane-1-carbonitrile is 16955-35-4.
What is the molecular formula of Bicyclo[1.1.0]butane-1-carbonitrile?
The molecular formula of Bicyclo[1.1.0]butane-1-carbonitrile is C5H5N.
What is the molecular weight of Bicyclo[1.1.0]butane-1-carbonitrile?
The molecular weight of Bicyclo[1.1.0]butane-1-carbonitrile is 79.04 g/mol.
Where can I buy Bicyclo[1.1.0]butane-1-carbonitrile?
You can request a quote for Bicyclo[1.1.0]butane-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[1.1.0]butane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[1.1.0]butane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.