((4-硝基-间甲苯基)偶氮)丙二腈
TL;DR: ((4-硝基-间甲苯基)偶氮)丙二腈 (CAS 6017-48-7) is a chemical compound with molecular formula C10H7N5O2 and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
((4-硝基-间甲苯基)偶氮)丙二腈
2-[(3-methyl-4-nitrophenyl)diazenyl]propanedinitrile
Also Known As: ((4-Nitro-m-tolyl)azo)malononitrile, 3-Methyl-4-nitro-phenyl-azo-malonitril, F 2229, MALONONITRILE, ((4-NITRO-m-TOLYL)AZO)-, 3-Methyl-4-nitro-phenyl-azo-malonitril [German]
| Molecular Formula | C10H7N5O2 |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.05997 |
| Heavy Atoms | 17 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 6017-48-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N=NC(C#N)C#N)[N+](=O)[O-] |
| InChIKey | DRRWXYSBAAPLFX-UHFFFAOYSA-N |
Product Overview
((4-硝基-间甲苯基)偶氮)丙二腈 (CAS 6017-48-7), with molecular formula C10H7N5O2 and molecular weight 229.06 g/mol. IUPAC: 2-[(3-methyl-4-nitrophenyl)diazenyl]propanedinitrile.
Chemical Property Profile of ((4-硝基-间甲苯基)偶氮)丙二腈
Property Insights of ((4-硝基-间甲苯基)偶氮)丙二腈
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-硝基-间甲苯基)偶氮)丙二腈. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4-硝基-间甲苯基)偶氮)丙二腈. Following Lipinski's Rule of Five, ((4-硝基-间甲苯基)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 ((4-硝基-间甲苯基)偶氮)丙二腈?
The CAS number of ((4-硝基-间甲苯基)偶氮)丙二腈 is 6017-48-7.
What is the molecular formula of ((4-硝基-间甲苯基)偶氮)丙二腈?
The molecular formula of ((4-硝基-间甲苯基)偶氮)丙二腈 is C10H7N5O2.
What is the molecular weight of ((4-硝基-间甲苯基)偶氮)丙二腈?
The molecular weight of ((4-硝基-间甲苯基)偶氮)丙二腈 is 229.06 g/mol.
Where can I buy ((4-硝基-间甲苯基)偶氮)丙二腈?
You can request a quote for ((4-硝基-间甲苯基)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 ((4-硝基-间甲苯基)偶氮)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for ((4-硝基-间甲苯基)偶氮)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.