![4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid structure](/static/products/2800/28005-90-5.webp)
4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid
TL;DR: 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid (CAS 28005-90-5) is a chemical compound with molecular formula C18H19Cl2N3O3 and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid
Also Known As: Methanone,bis[4-[(4-aminophenyl)sulfonyl]phenyl], 4-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid, 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid, 4-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]ben, Benzoicacid, 4-[2-[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]-
| Molecular Formula | C18H19Cl2N3O3 |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 395.08035 |
| Heavy Atoms | 26 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 28005-90-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)C(=O)O)N(CCCl)CCCl |
| InChIKey | SANISQYYUHDHMW-UHFFFAOYSA-N |
Product Overview
4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid (CAS 28005-90-5), with molecular formula C18H19Cl2N3O3 and molecular weight 395.08 g/mol. IUPAC: 4-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid.
Chemical Property Profile of 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid
Property Insights of 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid
The XLogP value of 4.5 indicates that 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid has 1 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 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid?
The CAS number of 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid is 28005-90-5.
What is the molecular formula of 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid?
The molecular formula of 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid is C18H19Cl2N3O3.
What is the molecular weight of 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid?
The molecular weight of 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid is 395.08 g/mol.
Where can I buy 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid?
You can request a quote for 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}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-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.