![methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate structure](/static/products/866/866154-87-2.png)
methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate
TL;DR: methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate (CAS 866154-87-2) is a chemical compound with molecular formula C21H21N3O7S and molecular weight 459.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylphenyl]sulfamoyl]benzoate
Also Known As: methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate, methyl 2-[[4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylphenyl]sulfamoyl]benzoate, methyl 2-({4-[(4,6-dimethoxypyrimidin-2-yl)oxy]-2-methylphenyl}sulfamoyl)benzoate, Methyl 2-[[4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methyl-phenyl]sulfamoyl]benzoate, methyl2-({4-[(4,6-dimethoxypyrimidin-2-yl)oxy]-2-methylphenyl}sulfamoyl)benzoate
| Molecular Formula | C21H21N3O7S |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 3.18192 |
| Topological Polar Surface Area | 125.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.11002 |
| Heavy Atoms | 32 |
| Complexity | 1223.6407 |
Chemical Identifiers
| CAS Number | 866154-87-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC2=NC(=CC(=N2)OC)OC)NS(=O)(=O)C3=CC=CC=C3C(=O)OC |
Product Overview
methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate (CAS 866154-87-2), with molecular formula C21H21N3O7S and molecular weight 459.11 g/mol. IUPAC: methyl 2-[[4-(4,6-dimethoxypyrimidin-2-yl)oxy-2-methylphenyl]sulfamoyl]benzoate.
Chemical Property Profile of methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate
Property Insights of methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate
The XLogP value of 3.18192 indicates that methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate. Following Lipinski's Rule of Five, methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate has 1 hydrogen bond donor(s) and 9 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 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate?
The CAS number of methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate is 866154-87-2.
What is the molecular formula of methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate?
The molecular formula of methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate is C21H21N3O7S.
What is the molecular weight of methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate?
The molecular weight of methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate is 459.11 g/mol.
Where can I buy methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate?
You can request a quote for methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-2-methylanilino}sulfonyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.