![methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate structure](/static/products/4972/497211-84-4.webp)
methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
TL;DR: methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate (CAS 497211-84-4) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Also Known As: (E)-methyl 4-(2-phenylvinylsulfonamido)benzoate, IDI1_010266, pyrimidine-4,5,6-triamine,sulfuric acid, methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate, METHYL 4-[(E)-2-PHENYLETHENESULFONAMIDO]BENZOATE
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.07217 |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 497211-84-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NS(=O)(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | QBHJEQCADCAELG-VAWYXSNFSA-N |
Product Overview
methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate (CAS 497211-84-4), with molecular formula C16H15NO4S and molecular weight 317.07 g/mol. IUPAC: methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate.
Chemical Property Profile of methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Property Insights of methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate. Following Lipinski's Rule of Five, methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate has 1 hydrogen bond donor(s) and 5 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-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
The CAS number of methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is 497211-84-4.
What is the molecular formula of methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
The molecular formula of methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is C16H15NO4S.
What is the molecular weight of methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
The molecular weight of methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate is 317.07 g/mol.
Where can I buy methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
You can request a quote for methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]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-[[(E)-2-phenylethenyl]sulfonylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[(E)-2-phenylethenyl]sulfonylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.