3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide
TL;DR: 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide (CAS 6115-44-2) is a chemical compound with molecular formula C17H14N2O5 and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
Also Known As: KST-1A6540, AB00102711-01, (2e)-3-(1,3-benzodioxol-5-yl)-n-(2-methyl-5-nitrophenyl)prop-2-enamide, 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide, (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
| Molecular Formula | C17H14N2O5 |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 3.28382 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.09027 |
| Heavy Atoms | 24 |
| Complexity | 844.8697 |
Chemical Identifiers
| CAS Number | 6115-44-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
Product Overview
3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide (CAS 6115-44-2), with molecular formula C17H14N2O5 and molecular weight 326.09 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide
Property Insights of 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide
The XLogP value of 3.28382 indicates that 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide 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 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide?
The CAS number of 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide is 6115-44-2.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide is C17H14N2O5.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide is 326.09 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-N-(2-methyl-5-nitrophenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.