(E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide (CAS 349541-49-7) is a chemical compound with molecular formula C12H9N3O3S and molecular weight 275.04 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-(1,3,4-thiadiazol-2-yl)prop-2-enamide
Also Known As: (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-1,3,4-thiadiazol-2-ylacrylamide, (E)-3-Benzo[1,3]dioxol-5-yl-N-[1,3,4]thiadiazol-2-yl-acrylamide, (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)acrylamide
| Molecular Formula | C12H9N3O3S |
|---|---|
| Molecular Weight | 275.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.03647 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 349541-49-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=NN=CS3 |
| InChIKey | LKVIIGTZHIZPNW-DUXPYHPUSA-N |
Product Overview
(E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide (CAS 349541-49-7), with molecular formula C12H9N3O3S and molecular weight 275.04 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide.
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 6 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-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide is 349541-49-7.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide is C12H9N3O3S.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide is 275.04 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)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-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.