![(2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide structure](/static/products/799/799799-74-9.png)
(2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide
TL;DR: (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide (CAS 799799-74-9) is a chemical compound with molecular formula C22H14N2O3S2 and molecular weight 418.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Also Known As: (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide, (E)-N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-3-(thiophen-2-yl)acrylamide, (E)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide, N-(9,10-DIOXO-9,10-DIHYDRO-2-ANTHRACENYL)-N'-[3-(2-THIENYL)ACRYLOYL]THIOUREA, N-[(9,10-dioxoanthracen-2-yl)thiocarbamoyl]-3-thiophen-2-yl-prop-2-enamide
| Molecular Formula | C22H14N2O3S2 |
|---|---|
| Molecular Weight | 418.04 g/mol |
| LogP | 4.0499 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.0446 |
| Heavy Atoms | 29 |
| Complexity | 1180.5278 |
Chemical Identifiers
| CAS Number | 799799-74-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=S)NC(=O)/C=C/C4=CC=CS4 |
Product Overview
(2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide (CAS 799799-74-9), with molecular formula C22H14N2O3S2 and molecular weight 418.04 g/mol. IUPAC: (E)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide.
Chemical Property Profile of (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide
Property Insights of (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide
The XLogP value of 4.0499 indicates that (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide has 2 hydrogen bond donor(s) and 5 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 (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide?
The CAS number of (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide is 799799-74-9.
What is the molecular formula of (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide?
The molecular formula of (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide is C22H14N2O3S2.
What is the molecular weight of (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide?
The molecular weight of (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide is 418.04 g/mol.
Where can I buy (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide?
You can request a quote for (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-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 (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.