![N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide structure](/static/products/496/496029-29-9.png)
N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide
TL;DR: N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide (CAS 496029-29-9) is a chemical compound with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide
Also Known As: AN-329/41563779, N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide, 3-nitro-N-({2-[(4-methylphenoxy)acetyl]hydrazino}carbothioyl)benzamide, N-({2-[(4-methylphenoxy)acetyl]hydrazino}carbonothioyl)-3-nitrobenzamide, N-({2-[(4-methylphenoxy)acetyl]hydrazinyl}carbonothioyl)-3-nitrobenzamide
| Molecular Formula | C17H16N4O5S |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 1.61772 |
| Topological Polar Surface Area | 122.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.08414 |
| Heavy Atoms | 27 |
| Complexity | 869.8824 |
Chemical Identifiers
| CAS Number | 496029-29-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide (CAS 496029-29-9), with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol. IUPAC: N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide
Property Insights of N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide
The XLogP value of 1.61772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide. The TPSA of 122.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide has 3 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-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide?
The CAS number of N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide is 496029-29-9.
What is the molecular formula of N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide?
The molecular formula of N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide is C17H16N4O5S.
What is the molecular weight of N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide?
The molecular weight of N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide is 388.08 g/mol.
Where can I buy N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide?
You can request a quote for N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-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-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.