Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate
TL;DR: Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate (CAS 361999-40-8) is a chemical compound with molecular formula C25H22N4O4 and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[4-(2-hydroxyethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoate
Also Known As: ChemDiv1_006115, BAS 02054816, BIM-0011819.P001, methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate, methyl 4-[(4-{4-[(2-hydroxyethyl)carbamoyl]phenyl}phthalazin-1-yl)amino]benzoate
| Molecular Formula | C25H22N4O4 |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 3.5491 |
| Topological Polar Surface Area | 113.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.1641 |
| Heavy Atoms | 33 |
| Complexity | 1288.3071 |
Chemical Identifiers
| CAS Number | 361999-40-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)NCCO |
Product Overview
Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate (CAS 361999-40-8), with molecular formula C25H22N4O4 and molecular weight 442.16 g/mol. IUPAC: methyl 4-[[4-[4-(2-hydroxyethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoate.
Chemical Property Profile of Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate
Property Insights of Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate
The XLogP value of 3.5491 indicates that Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate has 3 hydrogen bond donor(s) and 7 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-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate?
The CAS number of Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate is 361999-40-8.
What is the molecular formula of Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate?
The molecular formula of Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate is C25H22N4O4.
What is the molecular weight of Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate?
The molecular weight of Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate is 442.16 g/mol.
Where can I buy Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate?
You can request a quote for Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-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-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((4-(4-((2-hydroxyethyl)carbamoyl)phenyl)phthalazin-1-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.