![2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide structure](/static/products/333/333445-05-9.png)
2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide
TL;DR: 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide (CAS 333445-05-9) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide
Also Known As: 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide, BAS 02136446, 2-nitro-N-[(2-pentanoylhydrazino)carbothioyl]benzamide, 2-Nitro-N-(N'-pentanoyl-hydrazinocarbothioyl)-benzamide, N-({[(2-nitrophenyl)carbonylamino]thioxomethyl}amino)pentanamide
| Molecular Formula | C13H16N4O4S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 1.4205 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.08923 |
| Heavy Atoms | 22 |
| Complexity | 591.1578 |
Chemical Identifiers
| CAS Number | 333445-05-9 |
|---|---|
| SMILES | CCCCC(=O)NNC(=S)NC(=O)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide (CAS 333445-05-9), with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol. IUPAC: 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide.
Chemical Property Profile of 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide
Property Insights of 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide
The XLogP value of 1.4205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide has 3 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 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide?
The CAS number of 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide is 333445-05-9.
What is the molecular formula of 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide?
The molecular formula of 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide is C13H16N4O4S.
What is the molecular weight of 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide?
The molecular weight of 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide is 324.09 g/mol.
Where can I buy 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide?
You can request a quote for 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-[(pentanoylamino)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.