Ethenetricarbonitrile, 3,4-xylidino-
TL;DR: Ethenetricarbonitrile, 3,4-xylidino- (CAS 23957-69-9) is a chemical compound with molecular formula C13H10N4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethylanilino)ethene-1,1,2-tricarbonitrile
Also Known As: Ethenetricarbonitrile, 3,4-xylidino-, 2- -1,1,2-ethenetricarbonitrile, 2-(3,4-Xylidino)-1,1,2-ethenetricarbonitrile, 2-(3,4-dimethylanilino)ethene-1,1,2-tricarbonitrile, 2-(3,4-Dimethylanilino)-1,1,2-ethylenetricarbonitrile #
| Molecular Formula | C13H10N4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.09055 |
| Heavy Atoms | 17 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 23957-69-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=C(C#N)C#N)C#N)C |
| InChIKey | QQCOEMOKNVODDR-UHFFFAOYSA-N |
Product Overview
Ethenetricarbonitrile, 3,4-xylidino- (CAS 23957-69-9), with molecular formula C13H10N4 and molecular weight 222.09 g/mol. IUPAC: 2-(3,4-dimethylanilino)ethene-1,1,2-tricarbonitrile.
Chemical Property Profile of Ethenetricarbonitrile, 3,4-xylidino-
Property Insights of Ethenetricarbonitrile, 3,4-xylidino-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethenetricarbonitrile, 3,4-xylidino-. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethenetricarbonitrile, 3,4-xylidino-. Following Lipinski's Rule of Five, Ethenetricarbonitrile, 3,4-xylidino- has 1 hydrogen bond donor(s) and 4 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 Ethenetricarbonitrile, 3,4-xylidino-?
The CAS number of Ethenetricarbonitrile, 3,4-xylidino- is 23957-69-9.
What is the molecular formula of Ethenetricarbonitrile, 3,4-xylidino-?
The molecular formula of Ethenetricarbonitrile, 3,4-xylidino- is C13H10N4.
What is the molecular weight of Ethenetricarbonitrile, 3,4-xylidino-?
The molecular weight of Ethenetricarbonitrile, 3,4-xylidino- is 222.09 g/mol.
Where can I buy Ethenetricarbonitrile, 3,4-xylidino-?
You can request a quote for Ethenetricarbonitrile, 3,4-xylidino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethenetricarbonitrile, 3,4-xylidino-?
Yes, KEHONG BIO provides custom synthesis services for Ethenetricarbonitrile, 3,4-xylidino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.