p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-
TL;DR: p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)- (CAS 226-97-1) is a chemical compound with molecular formula C11H16Cl2NO3P and molecular weight 311.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[bis(2-chloroethyl)amino]-4-methylphenyl]phosphonic acid
Also Known As: p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-, {3-[bis(2-chloroethyl)amino]-4-methylphenyl}phosphonic acid, 3-(Bis(2-chloroethyl)amino)-p-toluenephosphonic acid, [3-[bis(2-chloroethyl)amino]-4-methylphenyl]phosphonic acid, (3-(Bis(2-chloroethyl)amino)-4-methylphenyl)phosphonic acid
| Molecular Formula | C11H16Cl2NO3P |
|---|---|
| Molecular Weight | 311.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.02448 |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 226-97-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)P(=O)(O)O)N(CCCl)CCCl |
| InChIKey | BIOHVRABGYPFNT-UHFFFAOYSA-N |
Product Overview
p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)- (CAS 226-97-1), with molecular formula C11H16Cl2NO3P and molecular weight 311.02 g/mol. IUPAC: [3-[bis(2-chloroethyl)amino]-4-methylphenyl]phosphonic acid.
Chemical Property Profile of p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-
Property Insights of p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-. Following Lipinski's Rule of Five, p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)- has 2 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-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-?
The CAS number of p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)- is 226-97-1.
What is the molecular formula of p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-?
The molecular formula of p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)- is C11H16Cl2NO3P.
What is the molecular weight of p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-?
The molecular weight of p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)- is 311.02 g/mol.
Where can I buy p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-?
You can request a quote for p-Toluenephosphonic 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-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.