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N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide
TL;DR: N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide (CAS 353785-51-0) is a chemical compound with molecular formula C15H13NO3S and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylprop-2-enamide
Also Known As: BAS 03379639, N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide, (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylprop-2-enamide, N-(1,3-benzodioxol-5-ylmethyl)-3-(2-thienyl)acrylamide, (2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(thiophen-2-yl)prop-2-enamide
| Molecular Formula | C15H13NO3S |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.0616 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 353785-51-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)/C=C/C3=CC=CS3 |
| InChIKey | LZOINNHUGIGQHL-GQCTYLIASA-N |
Product Overview
N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide (CAS 353785-51-0), with molecular formula C15H13NO3S and molecular weight 287.06 g/mol. IUPAC: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylprop-2-enamide.
Chemical Property Profile of N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide
Property Insights of N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide. Following Lipinski's Rule of Five, N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide has 1 hydrogen bond donor(s) and 4 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 N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide?
The CAS number of N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide is 353785-51-0.
What is the molecular formula of N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide?
The molecular formula of N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide is C15H13NO3S.
What is the molecular weight of N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide?
The molecular weight of N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide is 287.06 g/mol.
Where can I buy N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide?
You can request a quote for N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.