p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino-
TL;DR: p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino- (CAS 19768-75-3) is a chemical compound with molecular formula C11H15Cl2NO3S and molecular weight 311.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]-4-methylbenzenesulfonic acid
Also Known As: 3-Bis(2-chloroethyl)amino-p-toluenesulfonic acid, 3-[bis(2-chloroethyl)amino]-4-methylbenzenesulfonic acid, p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino-, 3-(Bis(2-chloroethyl)amino)-4-methylphenyl sulfonic acid, 3-[Bis(2-chloroethyl)amino]-4-methylbenzene-1-sulfonic acid
| Molecular Formula | C11H15Cl2NO3S |
|---|---|
| Molecular Weight | 311.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.01498 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 19768-75-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)O)N(CCCl)CCCl |
| InChIKey | DWUOZVCWMPJABS-UHFFFAOYSA-N |
Product Overview
p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino- (CAS 19768-75-3), with molecular formula C11H15Cl2NO3S and molecular weight 311.01 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-4-methylbenzenesulfonic acid.
Chemical Property Profile of p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino-
Property Insights of p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino-. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino-. Following Lipinski's Rule of Five, p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino- has 1 hydrogen bond donor(s) and 4 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-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino-?
The CAS number of p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino- is 19768-75-3.
What is the molecular formula of p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino-?
The molecular formula of p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino- is C11H15Cl2NO3S.
What is the molecular weight of p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino-?
The molecular weight of p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino- is 311.01 g/mol.
Where can I buy p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino-?
You can request a quote for p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino-?
Yes, KEHONG BIO provides custom synthesis services for p-Toluenesulfonic acid, 3-(bis(2-chloroethyl)amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.