![[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate structure](/static/products/7369/736949-87-4.webp)
[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
TL;DR: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate (CAS 736949-87-4) is a chemical compound with molecular formula C19H16N2O10S and molecular weight 464.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
Also Known As: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate|2-[(2,3-Dihydro-1,4-benzodioxine-2-carbonyl)amino]-2-oxoethyl 4-(methanesulfonyl)-3-nitrobenzoate|MLS002249340|SMR001316776
| Molecular Formula | C19H16N2O10S |
|---|---|
| Molecular Weight | 464.05 g/mol |
| LogP | 0.6379 |
| Topological Polar Surface Area | 168.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.05255 |
| Heavy Atoms | 32 |
| Complexity | 1208.3391 |
Chemical Identifiers
| CAS Number | 736949-87-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)C2COC3=CC=CC=C3O2)[N+](=O)[O-] |
Product Overview
[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate (CAS 736949-87-4), with molecular formula C19H16N2O10S and molecular weight 464.05 g/mol. IUPAC: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate.
Chemical Property Profile of [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
Property Insights of [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
The XLogP value of 0.6379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate. The TPSA of 168.21 Ų indicates high polarity, suggesting [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate has 1 hydrogen bond donor(s) and 10 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 [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate?
The CAS number of [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate is 736949-87-4.
What is the molecular formula of [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate?
The molecular formula of [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate is C19H16N2O10S.
What is the molecular weight of [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate?
The molecular weight of [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate is 464.05 g/mol.
Where can I buy [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate?
You can request a quote for [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.