![N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide structure](/static/products/4016/401616-77-1.webp)
N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide
TL;DR: N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide (CAS 401616-77-1) is a chemical compound with molecular formula C22H13N3O5S and molecular weight 431.06 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-nitrobenzamide
Also Known As: BAS 02760319, N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide, N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]-4-nitrobenzamide, 1-(9,10-Dioxo-9,10-dihydro-anthracen-2-yl)-3-(4-nitro-benzoyl)-thiourea, N-((9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl)-4-nitrobenzamide
| Molecular Formula | C22H13N3O5S |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 3.497 |
| Topological Polar Surface Area | 118.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.0576 |
| Heavy Atoms | 31 |
| Complexity | 1284.5588 |
Chemical Identifiers
| CAS Number | 401616-77-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide (CAS 401616-77-1), with molecular formula C22H13N3O5S and molecular weight 431.06 g/mol. IUPAC: N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide
Property Insights of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide
The XLogP value of 3.497 indicates that N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.41 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide 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 N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide?
The CAS number of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide is 401616-77-1.
What is the molecular formula of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide?
The molecular formula of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide is C22H13N3O5S.
What is the molecular weight of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide?
The molecular weight of N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide is 431.06 g/mol.
Where can I buy N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide?
You can request a quote for N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide 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-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.