3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈
TL;DR: 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈 (CAS 16586-43-9) is a chemical compound with molecular formula C18H18ClN5O2 and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈
3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile
Also Known As: Disperse Red N, DISPERSE RED 65, Disperse Red E-4B, Serilene Dark Red FL, C.I. Disperse Red 65
| Molecular Formula | C18H18ClN5O2 |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.1149 |
| Heavy Atoms | 26 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 16586-43-9 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C |
| InChIKey | BHOOSPBGGKYHCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈 (CAS 16586-43-9), with molecular formula C18H18ClN5O2 and molecular weight 371.11 g/mol. IUPAC: 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile.
Chemical Property Profile of 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈
Property Insights of 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈
The XLogP value of 4.7 indicates that 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈. Following Lipinski's Rule of Five, 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈 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-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈?
The CAS number of 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈 is 16586-43-9.
What is the molecular formula of 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈?
The molecular formula of 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈 is C18H18ClN5O2.
What is the molecular weight of 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈?
The molecular weight of 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈 is 371.11 g/mol.
Where can I buy 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈?
You can request a quote for 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-((2-氯-4-硝基苯基)偶氮)-3-甲基苯基)乙氨基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.