![N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide structure](/static/products/3337/333739-34-7.webp)
N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
TL;DR: N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide (CAS 333739-34-7) is a chemical compound with molecular formula C17H17N3O6S and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
Also Known As: BAS 02820063, N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide, N-(3,4-dimethoxyphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea, 1-(3,4-Dimethoxy-phenyl)-3-(4-methoxy-3-nitro-benzoyl)-thiourea, N-{[(3,4-dimethoxyphenyl)amino]thioxomethyl}(4-methoxy-3-nitrophenyl)carboxami de
| Molecular Formula | C17H17N3O6S |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 2.7474 |
| Topological Polar Surface Area | 111.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.0838 |
| Heavy Atoms | 27 |
| Complexity | 886.9676 |
Chemical Identifiers
| CAS Number | 333739-34-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-] |
Product Overview
N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide (CAS 333739-34-7), with molecular formula C17H17N3O6S and molecular weight 391.08 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
Property Insights of N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
The XLogP value of 2.7474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide. The TPSA of 111.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide has 2 hydrogen bond donor(s) and 7 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-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
The CAS number of N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide is 333739-34-7.
What is the molecular formula of N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
The molecular formula of N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide is C17H17N3O6S.
What is the molecular weight of N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
The molecular weight of N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide is 391.08 g/mol.
Where can I buy N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
You can request a quote for N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3,4-dimethoxyphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.