6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid
TL;DR: 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid (CAS 101931-38-8) is a chemical compound with molecular formula C20H19Cl2N3O3S and molecular weight 451.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid
Also Known As: 4-16-00-00514 (Beilstein Handbook Reference), 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid, 6-((p-(Bis(2-chloroethyl)amino)phenyl)azo)-2-naphthalenesulfonic acid, 2-NAPHTHALENESULFONIC ACID, 6-((p-(BIS(2-CHLOROETHYL)AMINO)PHENYL)AZO)-, 2-Naphthalenesulfonicacid, 6-[2-[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-
Technical Specifications
| Molecular Formula | C20H19Cl2N3O3S |
| Molecular Weight | 451.05243 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.05243 Da |
| Heavy Atoms | 29 |
| Complexity | 629.0 |
| SMILES | C1=CC(=CC=C1N=NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)O)N(CCCl)CCCl |
| InChIKey | ZTJISAAUEAKLNY-UHFFFAOYSA-N |
Chemical Property Profile of 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid
Property Insights of 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid
The XLogP value of 5.0 indicates that 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid. Following Lipinski's Rule of Five, 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid 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
What is the CAS number of 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid?
The CAS number of 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid is 101931-38-8.
What is the molecular formula of 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid?
The molecular formula of 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid is C20H19Cl2N3O3S.
What is the molecular weight of 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid?
The molecular weight of 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid is 451.05243 g/mol.
Where can I buy 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid?
You can request a quote for 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 6-(4-Bis(beta-chloroethyl)aminophenylazo)-2-naphthalenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.