![(E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide structure](/static/products/708/708218-68-2.png)
(E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide
TL;DR: (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide (CAS 708218-68-2) is a chemical compound with molecular formula C23H17N5O7 and molecular weight 475.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide
Also Known As: (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide, N-(1,3-benzodioxol-5-yl)-2-[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide, N-(1,3-benzodioxol-5-yl)-2-{3-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-1H-indol-1-yl}acetamide, N-(1,3-benzodioxol-5-yl)-2-{3-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]-1H-indol-1-yl}acetamide, N-1,3-benzodioxol-5-yl-2-{3-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)vinyl]-1H-indol-1-yl}acetamide
| Molecular Formula | C23H17N5O7 |
|---|---|
| Molecular Weight | 475.11 g/mol |
| LogP | 2.4639 |
| Topological Polar Surface Area | 161.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.1128 |
| Heavy Atoms | 35 |
| Complexity | 1629.5133 |
Chemical Identifiers
| CAS Number | 708218-68-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=C(C4=CC=CC=C43)/C=C/C5=C(C(=O)NC(=O)N5)[N+](=O)[O-] |
Product Overview
(E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide (CAS 708218-68-2), with molecular formula C23H17N5O7 and molecular weight 475.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide.
Chemical Property Profile of (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide
Property Insights of (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide
The XLogP value of 2.4639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide. The TPSA of 161.35 Ų indicates high polarity, suggesting (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide has 3 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 (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide?
The CAS number of (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide is 708218-68-2.
What is the molecular formula of (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide?
The molecular formula of (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide is C23H17N5O7.
What is the molecular weight of (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide?
The molecular weight of (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide is 475.11 g/mol.
Where can I buy (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide?
You can request a quote for (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(benzo[d][1,3]dioxol-5-yl)-2-(3-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)-1H-indol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.