2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid
TL;DR: 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid (CAS 92302-29-9) is a chemical compound with molecular formula C14H18Cl2N2O2 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-[bis(2-chloroethyl)amino]-1,3-dihydroindene-2-carboxylic acid
Also Known As: NIOSH/NK4495000, CB 1748, 1H-Indene-2-carboxylic acid,3-dihydro-, 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid, 2-Indancarboxylic acid, 2-amino-6-(bis(2-chloroethyl)amino)-
| Molecular Formula | C14H18Cl2N2O2 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.07452 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 92302-29-9 |
|---|---|
| SMILES | C1C2=C(CC1(C(=O)O)N)C=C(C=C2)N(CCCl)CCCl |
| InChIKey | YOYUWLUUYLEOJW-UHFFFAOYSA-N |
Product Overview
2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid (CAS 92302-29-9), with molecular formula C14H18Cl2N2O2 and molecular weight 316.07 g/mol. IUPAC: 2-amino-5-[bis(2-chloroethyl)amino]-1,3-dihydroindene-2-carboxylic acid.
Chemical Property Profile of 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid
Property Insights of 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid
The XLogP value of -0.2 indicates that 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid. Following Lipinski's Rule of Five, 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic 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-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid?
The CAS number of 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid is 92302-29-9.
What is the molecular formula of 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid?
The molecular formula of 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid is C14H18Cl2N2O2.
What is the molecular weight of 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid?
The molecular weight of 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid is 316.07 g/mol.
Where can I buy 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid?
You can request a quote for 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-(bis(2-chloroethyl)amino)-2-indancarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.