RefChem:269820
TL;DR: RefChem:269820 (CAS 68391-46-8) is a chemical compound with molecular formula C18H14Cl2N6O2 and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-chloro-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanenitrile
Also Known As: Propanenitrile, 3,3'-((3-chloro-4-((2-chloro-4-nitrophenyl)azo)phenyl)imino)bis-, Propanenitrile, 3,3'-[[3-chloro-4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis-, Propanenitrile, 3,3'-((3-chloro-4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)imino)bis-, 3,3 -[[3-Chloro-4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis(propanenitrile), 3,3'-((3-Chloro-4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)imino)bis(propanenitrile)
| Molecular Formula | C18H14Cl2N6O2 |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.05554 |
| Heavy Atoms | 28 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 68391-46-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N(CCC#N)CCC#N)Cl)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | ICZIDOAMWAKGEO-UHFFFAOYSA-N |
Product Overview
RefChem:269820 (CAS 68391-46-8), with molecular formula C18H14Cl2N6O2 and molecular weight 416.06 g/mol. IUPAC: 3-[3-chloro-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanenitrile.
Chemical Property Profile of RefChem:269820
Property Insights of RefChem:269820
The XLogP value of 4.3 indicates that RefChem:269820 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:269820. Following Lipinski's Rule of Five, RefChem:269820 has 0 hydrogen bond donor(s) and 7 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:269820?
The CAS number of RefChem:269820 is 68391-46-8.
What is the molecular formula of RefChem:269820?
The molecular formula of RefChem:269820 is C18H14Cl2N6O2.
What is the molecular weight of RefChem:269820?
The molecular weight of RefChem:269820 is 416.06 g/mol.
Where can I buy RefChem:269820?
You can request a quote for RefChem:269820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:269820?
Yes, KEHONG BIO provides custom synthesis services for RefChem:269820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.