![N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide structure](/static/products/333/333445-06-0.png)
N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide
TL;DR: N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide (CAS 333445-06-0) is a chemical compound with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide
Also Known As: N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide, BAS 02136447, N-[(2-hexanoylhydrazino)carbothioyl]-2-nitrobenzamide, N-[(caproylamino)thiocarbamoyl]-2-nitro-benzamide, N-[(hexanoylamino)carbamothioyl]-2-nitro-benzamide
| Molecular Formula | C14H18N4O4S |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 1.8106 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.1049 |
| Heavy Atoms | 23 |
| Complexity | 606.195 |
Chemical Identifiers
| CAS Number | 333445-06-0 |
|---|---|
| SMILES | CCCCCC(=O)NNC(=S)NC(=O)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide (CAS 333445-06-0), with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol. IUPAC: N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide.
Chemical Property Profile of N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide
Property Insights of N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide
The XLogP value of 1.8106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide 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 N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide?
The CAS number of N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide is 333445-06-0.
What is the molecular formula of N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide?
The molecular formula of N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide is C14H18N4O4S.
What is the molecular weight of N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide?
The molecular weight of N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide is 338.10 g/mol.
Where can I buy N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide?
You can request a quote for N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(hexanoylamino)carbamothioyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.