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N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide
TL;DR: N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide (CAS 335209-02-4) is a chemical compound with molecular formula C23H16N2O3S and molecular weight 400.09 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-methylbenzamide
Also Known As: BAS 02722503, N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide, N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-4-methylbenzamide, N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)-N'-(4-methylbenzoyl)thiourea, 1-(9,10-Dioxo-9,10-dihydro-anthracen-2-yl)-3-(4-methyl-benzoyl)-thiourea
| Molecular Formula | C23H16N2O3S |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 3.89722 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.08817 |
| Heavy Atoms | 29 |
| Complexity | 1182.9823 |
Chemical Identifiers
| CAS Number | 335209-02-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O |
Product Overview
N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide (CAS 335209-02-4), with molecular formula C23H16N2O3S and molecular weight 400.09 g/mol. IUPAC: N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide
Property Insights of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide
The XLogP value of 3.89722 indicates that N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide 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-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide. Following Lipinski's Rule of Five, N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide 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-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide?
The CAS number of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide is 335209-02-4.
What is the molecular formula of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide?
The molecular formula of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide is C23H16N2O3S.
What is the molecular weight of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide?
The molecular weight of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide is 400.09 g/mol.
Where can I buy N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide?
You can request a quote for N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide 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-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.