((3-氯-4-硝基苯基)偶氮)丙二腈
TL;DR: ((3-氯-4-硝基苯基)偶氮)丙二腈 (CAS 6017-51-2) is a chemical compound with molecular formula C9H4ClN5O2 and molecular weight 249.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
((3-氯-4-硝基苯基)偶氮)丙二腈
2-[(3-chloro-4-nitrophenyl)diazenyl]propanedinitrile
Also Known As: ((3-Chloro-4-nitrophenyl)azo)malononitrile, 3-Chlor-4-nitro-phenyl-azo-malonitril, F 2233, 3-Chlor-4-nitro-phenyl-azo-malonitril [German], 2-[(3-chloro-4-nitrophenyl)diazenyl]propanedinitrile
| Molecular Formula | C9H4ClN5O2 |
|---|---|
| Molecular Weight | 249.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.00536 |
| Heavy Atoms | 17 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 6017-51-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=NC(C#N)C#N)Cl)[N+](=O)[O-] |
| InChIKey | FSFHZPMXZVQJJS-UHFFFAOYSA-N |
Product Overview
((3-氯-4-硝基苯基)偶氮)丙二腈 (CAS 6017-51-2), with molecular formula C9H4ClN5O2 and molecular weight 249.01 g/mol. IUPAC: 2-[(3-chloro-4-nitrophenyl)diazenyl]propanedinitrile.
Chemical Property Profile of ((3-氯-4-硝基苯基)偶氮)丙二腈
Property Insights of ((3-氯-4-硝基苯基)偶氮)丙二腈
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((3-氯-4-硝基苯基)偶氮)丙二腈. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ((3-氯-4-硝基苯基)偶氮)丙二腈. Following Lipinski's Rule of Five, ((3-氯-4-硝基苯基)偶氮)丙二腈 has 0 hydrogen bond donor(s) and 6 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 ((3-氯-4-硝基苯基)偶氮)丙二腈?
The CAS number of ((3-氯-4-硝基苯基)偶氮)丙二腈 is 6017-51-2.
What is the molecular formula of ((3-氯-4-硝基苯基)偶氮)丙二腈?
The molecular formula of ((3-氯-4-硝基苯基)偶氮)丙二腈 is C9H4ClN5O2.
What is the molecular weight of ((3-氯-4-硝基苯基)偶氮)丙二腈?
The molecular weight of ((3-氯-4-硝基苯基)偶氮)丙二腈 is 249.01 g/mol.
Where can I buy ((3-氯-4-硝基苯基)偶氮)丙二腈?
You can request a quote for ((3-氯-4-硝基苯基)偶氮)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 ((3-氯-4-硝基苯基)偶氮)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for ((3-氯-4-硝基苯基)偶氮)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.