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3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide
TL;DR: 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide (CAS 5360-28-1) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.11 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-methylphenyl)prop-2-enamide
Also Known As: 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide, BAS 00568897, IDI1_019995, AB00082936-01, BRD-K20492135-001-01-6
| Molecular Formula | C17H15NO3 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1052 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 5360-28-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
| InChIKey | SNIXRRLICYCCRP-VQHVLOKHSA-N |
Product Overview
3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide (CAS 5360-28-1), with molecular formula C17H15NO3 and molecular weight 281.11 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methylphenyl)prop-2-enamide.
Chemical Property Profile of 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide
Property Insights of 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide
The XLogP value of 3.7 indicates that 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide has 1 hydrogen bond donor(s) and 3 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-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide?
The CAS number of 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide is 5360-28-1.
What is the molecular formula of 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide?
The molecular formula of 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide is C17H15NO3.
What is the molecular weight of 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide?
The molecular weight of 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide is 281.11 g/mol.
Where can I buy 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide?
You can request a quote for 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzo[1,3]dioxol-5-yl-N-o-tolyl-acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.