![3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide structure](/static/products/4288/428829-92-9.webp)
3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
TL;DR: 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide (CAS 428829-92-9) is a chemical compound with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
Also Known As: 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
| Molecular Formula | C15H13N3O4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 2.7302 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.06268 |
| Heavy Atoms | 23 |
| Complexity | 746.64215 |
Chemical Identifiers
| CAS Number | 428829-92-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide (CAS 428829-92-9), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
Property Insights of 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 2.7302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide 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 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide is 428829-92-9.
What is the molecular formula of 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide is C15H13N3O4S.
What is the molecular weight of 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide is 331.06 g/mol.
Where can I buy 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.