![2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid structure](/static/products/988/98824-35-2.png)
2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid
TL;DR: 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid (CAS 98824-35-2) is a chemical compound with molecular formula C12H14Cl2N2O3 and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid
Also Known As: KST-1A9248, ({3-[bis(2-chloroethyl)amino]phenyl}amino)(oxo)acetic acid, 2-[3-[bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid, {3-[Bis(2-chloroethyl)amino]anilino}(oxo)acetic acid, 2-((3-(Bis(2-chloroethyl)amino)phenyl)amino)-2-oxoacetic acid
| Molecular Formula | C12H14Cl2N2O3 |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.03815 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 98824-35-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N(CCCl)CCCl)NC(=O)C(=O)O |
| InChIKey | OOPHSNUPAKXULI-UHFFFAOYSA-N |
Product Overview
2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid (CAS 98824-35-2), with molecular formula C12H14Cl2N2O3 and molecular weight 304.04 g/mol. IUPAC: 2-[3-[bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid.
Chemical Property Profile of 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid
Property Insights of 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid. Following Lipinski's Rule of Five, 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid 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 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid?
The CAS number of 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid is 98824-35-2.
What is the molecular formula of 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid?
The molecular formula of 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid is C12H14Cl2N2O3.
What is the molecular weight of 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid?
The molecular weight of 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid is 304.04 g/mol.
Where can I buy 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid?
You can request a quote for 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-[Bis(2-chloroethyl)amino]anilino]-2-oxoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.