![(E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide structure](/static/products/586/586992-80-5.png)
(E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide (CAS 586992-80-5) is a chemical compound with molecular formula C25H16N2O5S and molecular weight 456.08 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-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide
Also Known As: (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide, 3-benzo[1,3]dioxol-5-yl-N-[(9,10-dioxoanthracen-2-yl)thiocarbamoyl]prop-2-enamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]prop-2-enamide, (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)acrylamide, N-[3-(1,3-BENZODIOXOL-5-YL)ACRYLOYL]-N'-(9,10-DIOXO-9,10-DIHYDRO-2-ANTHRACENYL)THIOUREA
| Molecular Formula | C25H16N2O5S |
|---|---|
| Molecular Weight | 456.08 g/mol |
| LogP | 3.7171 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.078 |
| Heavy Atoms | 33 |
| Complexity | 1378.9603 |
Chemical Identifiers
| CAS Number | 586992-80-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC(=S)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O |
Product Overview
(E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide (CAS 586992-80-5), with molecular formula C25H16N2O5S and molecular weight 456.08 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide.
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide
The XLogP value of 3.7171 indicates that (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide has 2 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-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide is 586992-80-5.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide is C25H16N2O5S.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide is 456.08 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]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-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.