trans-1,2-Dicyanocyclobutane
TL;DR: trans-1,2-Dicyanocyclobutane (CAS 3211-19-6) is a chemical compound with molecular formula C6H6N2 and molecular weight 106.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,2R)-cyclobutane-1,2-dicarbonitrile
Also Known As: trans-Cyclobutane-1,2-dicarbonitrile, trans-1,2-Dicyanocyclobutane, USAF ST-1, cyclobutane-1,2-dicarbonitrile, 1,2-Cyclobutanedicarbonitrile
| Molecular Formula | C6H6N2 |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 1.05976 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.0531 |
| Heavy Atoms | 8 |
| Complexity | 140.3478 |
Chemical Identifiers
| CAS Number | 3211-19-6 |
|---|---|
| SMILES | C1C[C@H]([C@@H]1C#N)C#N |
Product Overview
trans-1,2-Dicyanocyclobutane (CAS 3211-19-6), with molecular formula C6H6N2 and molecular weight 106.05 g/mol. IUPAC: trans-(1R,2R)-cyclobutane-1,2-dicarbonitrile.
Chemical Property Profile of trans-1,2-Dicyanocyclobutane
Property Insights of trans-1,2-Dicyanocyclobutane
The XLogP value of 1.05976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1,2-Dicyanocyclobutane. With a topological polar surface area (TPSA) of 47.58 Ų, trans-1,2-Dicyanocyclobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1,2-Dicyanocyclobutane 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 trans-1,2-Dicyanocyclobutane?
The CAS number of trans-1,2-Dicyanocyclobutane is 3211-19-6.
What is the molecular formula of trans-1,2-Dicyanocyclobutane?
The molecular formula of trans-1,2-Dicyanocyclobutane is C6H6N2.
What is the molecular weight of trans-1,2-Dicyanocyclobutane?
The molecular weight of trans-1,2-Dicyanocyclobutane is 106.05 g/mol.
Where can I buy trans-1,2-Dicyanocyclobutane?
You can request a quote for trans-1,2-Dicyanocyclobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1,2-Dicyanocyclobutane?
Yes, KEHONG BIO provides custom synthesis services for trans-1,2-Dicyanocyclobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.