![N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide structure](/static/products/492/492998-29-5.png)
N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide
TL;DR: N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide (CAS 492998-29-5) 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-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide
Also Known As: BAS 02136617, N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide, N-[(2-{3-nitrobenzoyl}hydrazino)carbothioyl]hexanamide, Hexanoic acid [N'-(3-nitro-benzoyl)-hydrazinocarbothioyl]-amide
| 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 | 492998-29-5 |
|---|---|
| SMILES | CCCCCC(=O)NC(=S)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide (CAS 492998-29-5), with molecular formula C14H18N4O4S and molecular weight 338.10 g/mol. IUPAC: N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide.
Chemical Property Profile of N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide
Property Insights of N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide
The XLogP value of 1.8106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide. Following Lipinski's Rule of Five, N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide 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-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide?
The CAS number of N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide is 492998-29-5.
What is the molecular formula of N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide?
The molecular formula of N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide is C14H18N4O4S.
What is the molecular weight of N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide?
The molecular weight of N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide is 338.10 g/mol.
Where can I buy N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide?
You can request a quote for N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[(3-nitrobenzoyl)amino]carbamothioyl]hexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.