![2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile structure](/static/products/900/90008-87-0.png)
2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile
TL;DR: 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile (CAS 90008-87-0) is a chemical compound with molecular formula C12H15N3 and molecular weight 201.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile
Also Known As: BDKBGKKKTYGFAD-MDZDMXLPSA-, KST-1A9288, BIM-0020491.P001, {2-[(dimethylamino)methylene]cyclohexylidene}malononitrile, {(2e)-2-[(dimethylamino)methylene]cyclohexylidene}malononitrile
| Molecular Formula | C12H15N3 |
|---|---|
| Molecular Weight | 201.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.1266 |
| Heavy Atoms | 15 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 90008-87-0 |
|---|---|
| SMILES | CN(C)/C=C/1\CCCCC1=C(C#N)C#N |
| InChIKey | BDKBGKKKTYGFAD-MDZDMXLPSA-N |
Product Overview
2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile (CAS 90008-87-0), with molecular formula C12H15N3 and molecular weight 201.13 g/mol. IUPAC: 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile.
Chemical Property Profile of 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile
Property Insights of 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile. With a topological polar surface area (TPSA) of 50.8 Ų, 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile 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 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile?
The CAS number of 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile is 90008-87-0.
What is the molecular formula of 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile?
The molecular formula of 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile is C12H15N3.
What is the molecular weight of 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile?
The molecular weight of 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile is 201.13 g/mol.
Where can I buy 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile?
You can request a quote for 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.