RefChem:156875
TL;DR: RefChem:156875 (CAS 53663-17-5) is a chemical compound with molecular formula C12H12N6 and molecular weight 240.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,4-tetracyanobuta-1,3-dienylideneazanide;tetramethylazanium
Also Known As: C8N5.C4H12N, C8-N5.C4-H12-N, Methanaminium, N,N,N-trimethyl-, salt with 1-propene-1,1,2,3,3-pentacarbonitrile (1:1), Methanaminium, N,N,N-trimethyl-, salt with 1-propene-1,1,2,3,3-pentacarbonitrile, 2,3,4,4-tetracyanobuta-1,3-dienylideneazanide; tetramethylazanium
| Molecular Formula | C12H12N6 |
|---|---|
| Molecular Weight | 240.11 g/mol |
| LogP | 0.87 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.11235 |
| Heavy Atoms | 18 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 53663-17-5 |
|---|---|
| SMILES | C[N+](C)(C)C.C(=C(C#N)C(=C(C#N)C#N)C#N)=[N-] |
| InChIKey | AZBLHESCIULXDK-UHFFFAOYSA-N |
Product Overview
RefChem:156875 (CAS 53663-17-5), with molecular formula C12H12N6 and molecular weight 240.11 g/mol. IUPAC: 2,3,4,4-tetracyanobuta-1,3-dienylideneazanide;tetramethylazanium.
Chemical Property Profile of RefChem:156875
Property Insights of RefChem:156875
The XLogP value of 0.87 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:156875. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:156875. Following Lipinski's Rule of Five, RefChem:156875 has 0 hydrogen bond donor(s) and 5 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 RefChem:156875?
The CAS number of RefChem:156875 is 53663-17-5.
What is the molecular formula of RefChem:156875?
The molecular formula of RefChem:156875 is C12H12N6.
What is the molecular weight of RefChem:156875?
The molecular weight of RefChem:156875 is 240.11 g/mol.
Where can I buy RefChem:156875?
You can request a quote for RefChem:156875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:156875?
Yes, KEHONG BIO provides custom synthesis services for RefChem:156875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.