3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile
TL;DR: 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile (CAS 93981-72-7) is a chemical compound with molecular formula C18H19ClN4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-[[4-(diethylamino)-2-methylphenyl]diazenyl]benzonitrile
Also Known As: EINECS 301-159-1, 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile, 3-Chloro-4-[[4-(diethylamino)-2-methylphenyl]azo]benzonitrile, 3-chloro-4-[[4-(diethylamino)-2-methylphenyl]diazenyl]benzonitrile, 3-CHLORO-4-[[4-(DIETHYLAMINO)-O-TOLYL]AZO]BENZONITRILE
| Molecular Formula | C18H19ClN4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 5.7817 |
| Topological Polar Surface Area | 51.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.12982 |
| Heavy Atoms | 23 |
| Complexity | 758.1023 |
Chemical Identifiers
| CAS Number | 93981-72-7 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)C#N)Cl)C |
Product Overview
3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile (CAS 93981-72-7), with molecular formula C18H19ClN4 and molecular weight 326.13 g/mol. IUPAC: 3-chloro-4-[[4-(diethylamino)-2-methylphenyl]diazenyl]benzonitrile.
Chemical Property Profile of 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile
Property Insights of 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile
The XLogP value of 5.7817 indicates that 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.75 Ų, 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile?
The CAS number of 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile is 93981-72-7.
What is the molecular formula of 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile?
The molecular formula of 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile is C18H19ClN4.
What is the molecular weight of 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile?
The molecular weight of 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile is 326.13 g/mol.
Where can I buy 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile?
You can request a quote for 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-((4-(diethylamino)-o-tolyl)azo)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.