3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid
TL;DR: 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid (CAS 101931-20-8) is a chemical compound with molecular formula C20H19Cl2N3O6S2 and molecular weight 531.0092 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid
Also Known As: 4-16-00-00514 (Beilstein Handbook Reference), 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid, 3-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid, 3-((p-(Bis(2-chloroethyl)amino)phenyl)azo)-1,5-naphthalenedisulfonic acid, 1,5-NAPHTHALENEDISULFONIC ACID, 3-((p-(BIS(2-CHLOROETHYL)AMINO)PHENYL)AZO)-
Technical Specifications
| Molecular Formula | C20H19Cl2N3O6S2 |
| Molecular Weight | 531.0092 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 531.0092 Da |
| Heavy Atoms | 33 |
| Complexity | 863.0 |
| SMILES | C1=CC2=C(C=C(C=C2S(=O)(=O)O)N=NC3=CC=C(C=C3)N(CCCl)CCCl)C(=C1)S(=O)(=O)O |
| InChIKey | AZKAYVZYOJQXRF-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid
Property Insights of 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid
The XLogP value of 3.7 indicates that 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid?
The CAS number of 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid is 101931-20-8.
What is the molecular formula of 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid?
The molecular formula of 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid is C20H19Cl2N3O6S2.
What is the molecular weight of 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid?
The molecular weight of 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid is 531.0092 g/mol.
Where can I buy 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid?
You can request a quote for 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Bis(beta-chloroethyl)aminophenylazo)-1,5-naphthalenedisulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.