2,4-二氯亚苄基丙二腈
TL;DR: 2,4-二氯亚苄基丙二腈 (CAS 2972-76-1) is a chemical compound with molecular formula C10H4Cl2N2 and molecular weight 221.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二氯亚苄基丙二腈
2-[(2,4-dichlorophenyl)methylidene]propanedinitrile
Also Known As: 2,4-Dichlorobenzylidenemalononitrile, 2-[(2,4-dichlorophenyl)methylidene]propanedinitrile, 2-(2,4-dichlorobenzylidene)malononitrile, (2,4-dichlorobenzylidene)propanedinitrile, MALONONITRILE, (2,4-DICHLOROBENZYLIDENE)-
| Molecular Formula | C10H4Cl2N2 |
|---|---|
| Molecular Weight | 221.98 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.97516 |
| Heavy Atoms | 14 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 2972-76-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C=C(C#N)C#N |
| InChIKey | RRVZSQGJZJMCAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二氯亚苄基丙二腈 (CAS 2972-76-1), with molecular formula C10H4Cl2N2 and molecular weight 221.98 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2,4-二氯亚苄基丙二腈
Property Insights of 2,4-二氯亚苄基丙二腈
The XLogP value of 3.1 indicates that 2,4-二氯亚苄基丙二腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2,4-二氯亚苄基丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-二氯亚苄基丙二腈 has 0 hydrogen bond donor(s) and 2 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 2,4-二氯亚苄基丙二腈?
The CAS number of 2,4-二氯亚苄基丙二腈 is 2972-76-1.
What is the molecular formula of 2,4-二氯亚苄基丙二腈?
The molecular formula of 2,4-二氯亚苄基丙二腈 is C10H4Cl2N2.
What is the molecular weight of 2,4-二氯亚苄基丙二腈?
The molecular weight of 2,4-二氯亚苄基丙二腈 is 221.98 g/mol.
Where can I buy 2,4-二氯亚苄基丙二腈?
You can request a quote for 2,4-二氯亚苄基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二氯亚苄基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二氯亚苄基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.