![Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate structure](/static/products/361/361998-89-2.png)
Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate
TL;DR: Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate (CAS 361998-89-2) is a chemical compound with molecular formula C22H16ClN3O2 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(4-chloroanilino)phthalazin-1-yl]benzoate
Also Known As: ChemDiv1_006113, methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate, methyl 4-[4-(4-chloroanilino)phthalazin-1-yl]benzoate, 4-[4-(4-Chloro-phenylamino)-phthalazin-1-yl]-benzoic acid methyl ester
| Molecular Formula | C22H16ClN3O2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 5.4804 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.0931 |
| Heavy Atoms | 28 |
| Complexity | 1142.7576 |
Chemical Identifiers
| CAS Number | 361998-89-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Cl |
Product Overview
Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate (CAS 361998-89-2), with molecular formula C22H16ClN3O2 and molecular weight 389.09 g/mol. IUPAC: methyl 4-[4-(4-chloroanilino)phthalazin-1-yl]benzoate.
Chemical Property Profile of Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate
Property Insights of Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate
The XLogP value of 5.4804 indicates that Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate. Following Lipinski's Rule of Five, Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate?
The CAS number of Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate is 361998-89-2.
What is the molecular formula of Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate?
The molecular formula of Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate is C22H16ClN3O2.
What is the molecular weight of Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate?
The molecular weight of Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate is 389.09 g/mol.
Where can I buy Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate?
You can request a quote for Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}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-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.