2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid
TL;DR: 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid (CAS 38115-54-7) is a chemical compound with molecular formula C17H18ClN3O2 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[2-chloroethyl(methyl)amino]-2-methylphenyl]diazenyl]benzoic acid
Also Known As: N-Chloroethyl-N-methyl-aminoazobenzene, 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid, 2'-Carboxy-2-methyl-N-chloroethyl-methylaminoazobenzene, 2-(4-(N-(2-Chloroethyl)-N-methylamino)-2-methylphenyl)-azobenzoic acid, BENZOIC ACID, 2-((4-(N-(2-CHLOROETHYL)METHYLAMINO)-2-METHYLPHENYL)AZO)-
| Molecular Formula | C17H18ClN3O2 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.10876 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 38115-54-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(C)CCCl)N=NC2=CC=CC=C2C(=O)O |
| InChIKey | FONSTHKLWINFKT-UHFFFAOYSA-N |
Product Overview
2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid (CAS 38115-54-7), with molecular formula C17H18ClN3O2 and molecular weight 331.11 g/mol. IUPAC: 2-[[4-[2-chloroethyl(methyl)amino]-2-methylphenyl]diazenyl]benzoic acid.
Chemical Property Profile of 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid
Property Insights of 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid
The XLogP value of 4.3 indicates that 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)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 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid. Following Lipinski's Rule of Five, 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)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 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid?
The CAS number of 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid is 38115-54-7.
What is the molecular formula of 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid?
The molecular formula of 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid is C17H18ClN3O2.
What is the molecular weight of 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid?
The molecular weight of 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid is 331.11 g/mol.
Where can I buy 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid?
You can request a quote for 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(N-(2-Chloroethyl)methylamino)-2-methylphenyl)azo)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.