![{[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate structure](/static/products/7572/757216-75-4.webp)
{[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate
TL;DR: {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate (CAS 757216-75-4) is a chemical compound with molecular formula C25H22N2O7S and molecular weight 494.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
Also Known As: {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate, [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate
| Molecular Formula | C25H22N2O7S |
|---|---|
| Molecular Weight | 494.11 g/mol |
| LogP | 3.3011 |
| Topological Polar Surface Area | 120.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.11478 |
| Heavy Atoms | 35 |
| Complexity | 1355.2382 |
Chemical Identifiers
| CAS Number | 757216-75-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=CC(=CC=C3)NS(=O)(=O)/C=C/C4=CC=CC=C4 |
Product Overview
{[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate (CAS 757216-75-4), with molecular formula C25H22N2O7S and molecular weight 494.11 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]benzoate.
Chemical Property Profile of {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate
Property Insights of {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate
The XLogP value of 3.3011 indicates that {[(1,3-dioxaindan-5-yl)methyl]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 {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate. Following Lipinski's Rule of Five, {[(1,3-dioxaindan-5-yl)methyl]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 {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate?
The CAS number of {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate is 757216-75-4.
What is the molecular formula of {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular formula of {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate is C25H22N2O7S.
What is the molecular weight of {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate?
The molecular weight of {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate is 494.11 g/mol.
Where can I buy {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate?
You can request a quote for {[(1,3-dioxaindan-5-yl)methyl]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 {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for {[(1,3-dioxaindan-5-yl)methyl]carbamoyl}methyl 3-(2-phenylethenesulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.