RefChem:869059
TL;DR: RefChem:869059 (CAS 68391-51-5) is a chemical compound with molecular formula C16H14ClN5O2 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylanilino]propanenitrile
Also Known As: N,N-diphenyl-2-Naphthalenamine, Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]amino]-, 3-((4-((2-Chloro-4-nitrophenyl)azo)-3-methylphenyl)amino)propiononitrile, 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylanilino]propanenitrile, Aniline, 4-(2-chloro-4-nitrophenylazo)-3-methyl-N-beta-cyanoethyl-
| Molecular Formula | C16H14ClN5O2 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.0836 |
| Heavy Atoms | 24 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 68391-51-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NCCC#N)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | BLQXHXLSDYOZLF-UHFFFAOYSA-N |
Product Overview
RefChem:869059 (CAS 68391-51-5), with molecular formula C16H14ClN5O2 and molecular weight 343.08 g/mol. IUPAC: 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylanilino]propanenitrile.
Chemical Property Profile of RefChem:869059
Property Insights of RefChem:869059
The XLogP value of 4.7 indicates that RefChem:869059 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869059. Following Lipinski's Rule of Five, RefChem:869059 has 1 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 RefChem:869059?
The CAS number of RefChem:869059 is 68391-51-5.
What is the molecular formula of RefChem:869059?
The molecular formula of RefChem:869059 is C16H14ClN5O2.
What is the molecular weight of RefChem:869059?
The molecular weight of RefChem:869059 is 343.08 g/mol.
Where can I buy RefChem:869059?
You can request a quote for RefChem:869059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869059?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.