![4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid structure](/static/products/2800/28005-89-2.webp)
4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
TL;DR: 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid (CAS 28005-89-2) is a chemical compound with molecular formula C18H19Cl2N3O2 and molecular weight 379.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
Also Known As: 4-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid, 4-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benz, 4-[(E)-{4-[Bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl]benzoic acid, BENZOIC ACID,4-[2-[4-[BIS(2-CHLOROETHYL)AMINO]-2-METHYLPHENYL]DIAZENYL]-
| Molecular Formula | C18H19Cl2N3O2 |
|---|---|
| Molecular Weight | 379.09 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.08542 |
| Heavy Atoms | 25 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 28005-89-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=C(C=C2)C(=O)O |
| InChIKey | RNQYALLDGFFRSL-UHFFFAOYSA-N |
Product Overview
4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid (CAS 28005-89-2), with molecular formula C18H19Cl2N3O2 and molecular weight 379.09 g/mol. IUPAC: 4-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid.
Chemical Property Profile of 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
Property Insights of 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid
The XLogP value of 4.9 indicates that 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid has 1 hydrogen bond donor(s) and 5 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 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid?
The CAS number of 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid is 28005-89-2.
What is the molecular formula of 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid?
The molecular formula of 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid is C18H19Cl2N3O2.
What is the molecular weight of 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid?
The molecular weight of 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid is 379.09 g/mol.
Where can I buy 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid?
You can request a quote for 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.