2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid
TL;DR: 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid (CAS 91086-98-5) is a chemical compound with molecular formula C10H18Cl2N2O4 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[carboxymethyl(2-chloroethyl)amino]ethyl-(2-chloroethyl)amino]acetic acid
Also Known As: 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid, 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diaceticacid, 2,2'-{ethane-1,2-diylbis[(2-chloroethyl)imino]}diacetic acid(non-preferred name), 2-[2-(carboxymethyl-(2-chloroethyl)amino)ethyl-(2-chloroethyl)amino]acetic Acid, 2-[2-[carboxymethyl(2-chloroethyl)amino]ethyl-(2-chloroethyl)amino]acetic acid
| Molecular Formula | C10H18Cl2N2O4 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 300.06436 |
| Heavy Atoms | 18 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 91086-98-5 |
|---|---|
| SMILES | C(CN(CCCl)CC(=O)O)N(CCCl)CC(=O)O |
| InChIKey | PTADNTILANONKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid (CAS 91086-98-5), with molecular formula C10H18Cl2N2O4 and molecular weight 300.06 g/mol. IUPAC: 2-[2-[carboxymethyl(2-chloroethyl)amino]ethyl-(2-chloroethyl)amino]acetic acid.
Chemical Property Profile of 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid
Property Insights of 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid
The XLogP value of -3.9 indicates that 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid. Following Lipinski's Rule of Five, 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid has 2 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 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid?
The CAS number of 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid is 91086-98-5.
What is the molecular formula of 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid?
The molecular formula of 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid is C10H18Cl2N2O4.
What is the molecular weight of 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid?
The molecular weight of 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid is 300.06 g/mol.
Where can I buy 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid?
You can request a quote for 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(Ethane-1,2-diylbis((2-chloroethyl)azanediyl))diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.