![methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate structure](/static/products/488/488137-72-0.png)
methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate
TL;DR: methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate (CAS 488137-72-0) is a chemical compound with molecular formula C27H28N4O5S and molecular weight 520.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl]phthalazin-1-yl]amino]benzoate
Also Known As: methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate, methyl 4-((4-(3-(N-(1-hydroxy-2-methylpropan-2-yl)sulfamoyl)-4-methylphenyl)phthalazin-1-yl)amino)benzoate, methyl 4-[[4-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl]phthalazin-1-yl]amino]benzoate, methyl 4-{[(1Z)-4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1(2H)-ylidene]amino}benzoate
| Molecular Formula | C27H28N4O5S |
|---|---|
| Molecular Weight | 520.18 g/mol |
| LogP | 4.18462 |
| Topological Polar Surface Area | 130.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.17804 |
| Heavy Atoms | 37 |
| Complexity | 1568.0392 |
Chemical Identifiers
| CAS Number | 488137-72-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)OC)S(=O)(=O)NC(C)(C)CO |
Product Overview
methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate (CAS 488137-72-0), with molecular formula C27H28N4O5S and molecular weight 520.18 g/mol. IUPAC: methyl 4-[[4-[3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl]phthalazin-1-yl]amino]benzoate.
Chemical Property Profile of methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate
Property Insights of methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate
The XLogP value of 4.18462 indicates that methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.51 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate has 3 hydrogen bond donor(s) and 8 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-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate?
The CAS number of methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate is 488137-72-0.
What is the molecular formula of methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate?
The molecular formula of methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate is C27H28N4O5S.
What is the molecular weight of methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate?
The molecular weight of methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate is 520.18 g/mol.
Where can I buy methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate?
You can request a quote for methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}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-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.