(2,5-二氯苯氨基)乙烯三甲腈
TL;DR: (2,5-二氯苯氨基)乙烯三甲腈 (CAS 106484-97-3) is a chemical compound with molecular formula C11H4Cl2N4 and molecular weight 261.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-二氯苯氨基)乙烯三甲腈
2-(2,5-dichloroanilino)ethene-1,1,2-tricarbonitrile
Also Known As: 2,5-Dcaetcn, (2,5-Dichloroanilino)ethenetricarbonitrile, 2-(2,5-dichloroanilino)ethene-1,1,2-tricarbonitrile, 1,1,2-Ethenetricarbonitrile,2-[(2,5-dichlorophenyl)amino]-, (2,5-Dichloroanilino)ethene-1,1,2-tricarbonitrile
| Molecular Formula | C11H4Cl2N4 |
|---|---|
| Molecular Weight | 261.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.9813 |
| Heavy Atoms | 17 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 106484-97-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)NC(=C(C#N)C#N)C#N)Cl |
| InChIKey | SCMCIRPRWFGYNK-UHFFFAOYSA-N |
Product Overview
(2,5-二氯苯氨基)乙烯三甲腈 (CAS 106484-97-3), with molecular formula C11H4Cl2N4 and molecular weight 261.98 g/mol. IUPAC: 2-(2,5-dichloroanilino)ethene-1,1,2-tricarbonitrile.
Chemical Property Profile of (2,5-二氯苯氨基)乙烯三甲腈
Property Insights of (2,5-二氯苯氨基)乙烯三甲腈
The XLogP value of 3.4 indicates that (2,5-二氯苯氨基)乙烯三甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,5-二氯苯氨基)乙烯三甲腈. Following Lipinski's Rule of Five, (2,5-二氯苯氨基)乙烯三甲腈 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 (2,5-二氯苯氨基)乙烯三甲腈?
The CAS number of (2,5-二氯苯氨基)乙烯三甲腈 is 106484-97-3.
What is the molecular formula of (2,5-二氯苯氨基)乙烯三甲腈?
The molecular formula of (2,5-二氯苯氨基)乙烯三甲腈 is C11H4Cl2N4.
What is the molecular weight of (2,5-二氯苯氨基)乙烯三甲腈?
The molecular weight of (2,5-二氯苯氨基)乙烯三甲腈 is 261.98 g/mol.
Where can I buy (2,5-二氯苯氨基)乙烯三甲腈?
You can request a quote for (2,5-二氯苯氨基)乙烯三甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,5-二氯苯氨基)乙烯三甲腈?
Yes, KEHONG BIO provides custom synthesis services for (2,5-二氯苯氨基)乙烯三甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.