(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate
TL;DR: (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate (CAS 731828-76-5) is a chemical compound with molecular formula C19H18N2O8S and molecular weight 434.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Also Known As: (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate, (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
| Molecular Formula | C19H18N2O8S |
|---|---|
| Molecular Weight | 434.08 g/mol |
| LogP | 2.0948 |
| Topological Polar Surface Area | 134.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.0784 |
| Heavy Atoms | 30 |
| Complexity | 1067.442 |
Chemical Identifiers
| CAS Number | 731828-76-5 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)[N+](=O)[O-])COC(=O)CNS(=O)(=O)/C=C/C3=CC=CC=C3)OCO1 |
Product Overview
(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate (CAS 731828-76-5), with molecular formula C19H18N2O8S and molecular weight 434.08 g/mol. IUPAC: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate.
Chemical Property Profile of (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate
Property Insights of (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate
The XLogP value of 2.0948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate. The TPSA of 134.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate. Following Lipinski's Rule of Five, (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate has 1 hydrogen bond donor(s) and 8 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 (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate?
The CAS number of (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate is 731828-76-5.
What is the molecular formula of (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate?
The molecular formula of (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate is C19H18N2O8S.
What is the molecular weight of (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate?
The molecular weight of (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate is 434.08 g/mol.
Where can I buy (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate?
You can request a quote for (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl 2-(2-phenylethenesulfonamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.