Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate
TL;DR: Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate (CAS 84348-90-3) is a chemical compound with molecular formula C18H12ClNO4 and molecular weight 341.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoate
Also Known As: BIM-0020600.P001, methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate, methyl 4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]benzoate, methyl 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoate
| Molecular Formula | C18H12ClNO4 |
|---|---|
| Molecular Weight | 341.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.04547 |
| Heavy Atoms | 24 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 84348-90-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | MUEIBUHFCMKAMK-UHFFFAOYSA-N |
Product Overview
Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate (CAS 84348-90-3), with molecular formula C18H12ClNO4 and molecular weight 341.05 g/mol. IUPAC: methyl 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzoate.
Chemical Property Profile of Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate
Property Insights of Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate
The XLogP value of 3.9 indicates that Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate 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 Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
The CAS number of Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate is 84348-90-3.
What is the molecular formula of Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
The molecular formula of Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate is C18H12ClNO4.
What is the molecular weight of Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
The molecular weight of Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate is 341.05 g/mol.
Where can I buy Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
You can request a quote for Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.