![[(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate structure](/static/products/853/853584-99-3.png)
[(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate
TL;DR: [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate (CAS 853584-99-3) is a chemical compound with molecular formula C25H24N2O7S and molecular weight 496.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Also Known As: (3,4-dimethoxyphenyl)carbamoylmethyl 3-(2-phenylethenylsulfonylamino)benzoate, [(3,4-dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate, [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
| Molecular Formula | C25H24N2O7S |
|---|---|
| Molecular Weight | 496.13 g/mol |
| LogP | 3.9119 |
| Topological Polar Surface Area | 120.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 496.13043 |
| Heavy Atoms | 35 |
| Complexity | 1322.6519 |
Chemical Identifiers
| CAS Number | 853584-99-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3)OC |
Product Overview
[(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate (CAS 853584-99-3), with molecular formula C25H24N2O7S and molecular weight 496.13 g/mol. IUPAC: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate.
Chemical Property Profile of [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate
Property Insights of [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate
The XLogP value of 3.9119 indicates that [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.03 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate. Following Lipinski's Rule of Five, [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate has 2 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 [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
The CAS number of [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate is 853584-99-3.
What is the molecular formula of [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular formula of [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate is C25H24N2O7S.
What is the molecular weight of [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular weight of [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate is 496.13 g/mol.
Where can I buy [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
You can request a quote for [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(3,4-Dimethoxyphenyl)carbamoyl]methyl 3-(2-phenylethenesulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.