N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide
TL;DR: N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide (CAS 799806-87-4) is a chemical compound with molecular formula C22H13FN2O3S and molecular weight 404.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-fluorobenzamide
Also Known As: N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-fluorobenzamide, 1-(9,10-Dioxo-9,10-dihydro-anthracen-2-yl)-3-(4-fluoro-benzoyl)-thiourea, N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide, N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-4-fluorobenzamide
| Molecular Formula | C22H13FN2O3S |
|---|---|
| Molecular Weight | 404.06 g/mol |
| LogP | 3.7279 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.06308 |
| Heavy Atoms | 29 |
| Complexity | 1188.9167 |
Chemical Identifiers
| CAS Number | 799806-87-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F |
Product Overview
N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide (CAS 799806-87-4), with molecular formula C22H13FN2O3S and molecular weight 404.06 g/mol. IUPAC: N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide
Property Insights of N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide
The XLogP value of 3.7279 indicates that N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide 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 N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide has 2 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 N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide?
The CAS number of N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide is 799806-87-4.
What is the molecular formula of N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide?
The molecular formula of N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide is C22H13FN2O3S.
What is the molecular weight of N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide?
The molecular weight of N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide is 404.06 g/mol.
Where can I buy N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide?
You can request a quote for N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.