![3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid structure](/static/products/6425/64253-11-8.webp)
3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid
TL;DR: 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid (CAS 64253-11-8) 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.
3-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid
Also Known As: 3-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid, Benzoic acid, 3-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]azo]-, 3-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]ben, 4-(N,N-Di-2''-chloroethylamine)-3-methoxy-3'-carboxyazobenzene, 3-[(E)-{4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl}diazenyl]benzoic acid
| 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 | 461.0 |
Chemical Identifiers
| CAS Number | 64253-11-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)N(CCCl)CCCl |
| InChIKey | QESPBCZLGMXBOK-UHFFFAOYSA-N |
Product Overview
3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid (CAS 64253-11-8), with molecular formula C18H19Cl2N3O3 and molecular weight 395.08 g/mol. IUPAC: 3-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid.
Chemical Property Profile of 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid
Property Insights of 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid
The XLogP value of 4.5 indicates that 3-[[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 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid. Following Lipinski's Rule of Five, 3-[[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 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid?
The CAS number of 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid is 64253-11-8.
What is the molecular formula of 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid?
The molecular formula of 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid is C18H19Cl2N3O3.
What is the molecular weight of 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid?
The molecular weight of 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid is 395.08 g/mol.
Where can I buy 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid?
You can request a quote for 3-[[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 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[4-[Bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.