(E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CAS 445253-75-8) 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)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
Also Known As: 3-(1,3-benzodioxol-5-yl)-N-(2-thienylmethyl)acrylamide, (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
| Molecular Formula | C15H13NO3S |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 2.8064 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.0616 |
| Heavy Atoms | 20 |
| Complexity | 634.5731 |
Chemical Identifiers
| CAS Number | 445253-75-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCC3=CC=CS3 |
Product Overview
(E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CAS 445253-75-8), with molecular formula C15H13NO3S and molecular weight 287.06 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
The XLogP value of 2.8064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide. With a topological polar surface area (TPSA) of 47.56 Ų, (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide 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 (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is 445253-75-8.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is C15H13NO3S.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide is 287.06 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.