3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide
TL;DR: 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide (CAS 76386-15-7) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide
Also Known As: 3-(1,3-benzodioxol-5-yl)-N-ethylacrylamide, 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.5646 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 426.2721 |
Chemical Identifiers
| CAS Number | 76386-15-7 |
|---|---|
| SMILES | CCNC(=O)C=CC1=CC2=C(C=C1)OCO2 |
Product Overview
3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide (CAS 76386-15-7), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide
Property Insights of 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide
The XLogP value of 1.5646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide. With a topological polar surface area (TPSA) of 47.56 Ų, 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide 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-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide?
The CAS number of 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide is 76386-15-7.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide is C12H13NO3.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide is 219.09 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide 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-ethylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-N-ethylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.