2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid
TL;DR: 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid (CAS 40136-93-4) 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.
2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid
Also Known As: Azobenzene, 4-bis(2-chloroethyl)amino-2'-carboxy-3-methoxy-, BENZOIC ACID, 2-(4-BIS(2-CHLOROETHYL)AMINO-3-METHOXY)PHENYLAZO-, 2-[[4-[Bis amino]-3-methoxyphenyl]azo]benzoicacid, 2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid, Benzoic acid, 2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]azo]-
| 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 | 40136-93-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC=CC=C2C(=O)O)N(CCCl)CCCl |
| InChIKey | FJPCSXLXDDTALC-UHFFFAOYSA-N |
Product Overview
2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid (CAS 40136-93-4), with molecular formula C18H19Cl2N3O3 and molecular weight 395.08 g/mol. IUPAC: 2-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]diazenyl]benzoic acid.
Chemical Property Profile of 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid
Property Insights of 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid
The XLogP value of 4.5 indicates that 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid 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 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid. Following Lipinski's Rule of Five, 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid 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 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid?
The CAS number of 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid is 40136-93-4.
What is the molecular formula of 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid?
The molecular formula of 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid is C18H19Cl2N3O3.
What is the molecular weight of 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid?
The molecular weight of 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid is 395.08 g/mol.
Where can I buy 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid?
You can request a quote for 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Bis(2-chloroethyl)amino)-3-methoxyphenyl)diazenyl)benzoicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.