(Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile
TL;DR: (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile (CAS 18012-44-7) is a chemical compound with molecular formula C10H7N3 and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile
Also Known As: (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile, (2Z)-2-(1-CYANO-3-METHYLCYCLOBUT-2-EN-1-YL)BUT-2-ENEDINITRILE
| Molecular Formula | C10H7N3 |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 1.81994 |
| Topological Polar Surface Area | 71.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.064 |
| Heavy Atoms | 13 |
| Complexity | 408.92148 |
Chemical Identifiers
| CAS Number | 18012-44-7 |
|---|---|
| SMILES | CC1=CC(C1)(C#N)/C(=C/C#N)/C#N |
Product Overview
(Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile (CAS 18012-44-7), with molecular formula C10H7N3 and molecular weight 169.06 g/mol. IUPAC: (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile.
Chemical Property Profile of (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile
Property Insights of (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile
The XLogP value of 1.81994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile. The TPSA of 71.37 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile. Following Lipinski's Rule of Five, (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile has 0 hydrogen bond donor(s) and 3 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 (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile?
The CAS number of (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile is 18012-44-7.
What is the molecular formula of (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile?
The molecular formula of (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile is C10H7N3.
What is the molecular weight of (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile?
The molecular weight of (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile is 169.06 g/mol.
Where can I buy (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile?
You can request a quote for (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(1-cyano-3-methylcyclobut-2-en-1-yl)but-2-enedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.