p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid
TL;DR: p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid (CAS 100311-03-3) is a chemical compound with molecular formula C16H17Cl2N3O3S and molecular weight 401.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]benzenesulfonic acid
Also Known As: 4-16-00-00512 (Beilstein Handbook Reference), p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid, 4-(4-(Bis(2-chloroethyl)amino)phenylazo)benzenesulfonic acid, Benzenesulfonic acid, p-((p-(bis(2-chloroethyl)amino)phenyl)azo)-, p-[[p-[Bis(2-chloroethyl)amino]phenyl]azo]benzenesulfonic acid
| Molecular Formula | C16H17Cl2N3O3S |
|---|---|
| Molecular Weight | 401.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.03677 |
| Heavy Atoms | 25 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 100311-03-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)N(CCCl)CCCl |
| InChIKey | TZZKJIJYMBMITP-UHFFFAOYSA-N |
Product Overview
p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid (CAS 100311-03-3), with molecular formula C16H17Cl2N3O3S and molecular weight 401.04 g/mol. IUPAC: 4-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]benzenesulfonic acid.
Chemical Property Profile of p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid
Property Insights of p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid
The XLogP value of 3.8 indicates that p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic 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 p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid. Following Lipinski's Rule of Five, p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic 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
Frequently Asked Questions
What is the CAS number of p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid?
The CAS number of p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid is 100311-03-3.
What is the molecular formula of p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid?
The molecular formula of p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid is C16H17Cl2N3O3S.
What is the molecular weight of p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid?
The molecular weight of p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid is 401.04 g/mol.
Where can I buy p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid?
You can request a quote for p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for p-((p-(Bis(2-chloroethyl)amino)phenyl)azo)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.