4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide
TL;DR: 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide (CAS 401820-64-2) is a chemical compound with molecular formula C13H15N3O5S and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-(morpholine-4-carbothioyl)-3-nitrobenzamide
Also Known As: 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide, 4-methoxy-N-(morpholine-4-carbothioyl)-3-nitrobenzamide, (4-methoxy-3-nitrophenyl)-N-(morpholin-4-ylthioxomethyl)carboxamide
| Molecular Formula | C13H15N3O5S |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 0.9503 |
| Topological Polar Surface Area | 93.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.07324 |
| Heavy Atoms | 22 |
| Complexity | 601.3384 |
Chemical Identifiers
| CAS Number | 401820-64-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCOCC2)[N+](=O)[O-] |
Product Overview
4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide (CAS 401820-64-2), with molecular formula C13H15N3O5S and molecular weight 325.07 g/mol. IUPAC: 4-methoxy-N-(morpholine-4-carbothioyl)-3-nitrobenzamide.
Chemical Property Profile of 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide
Property Insights of 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide
The XLogP value of 0.9503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide. The TPSA of 93.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide has 1 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 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide?
The CAS number of 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide is 401820-64-2.
What is the molecular formula of 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide?
The molecular formula of 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide is C13H15N3O5S.
What is the molecular weight of 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide?
The molecular weight of 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide is 325.07 g/mol.
Where can I buy 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide?
You can request a quote for 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-(morpholin-4-ylcarbonothioyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.