![N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide structure](/static/products/642/642950-38-7.png)
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide
TL;DR: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide (CAS 642950-38-7) is a chemical compound with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide
Also Known As: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide, N-{[(2-hydroxy-5-nitrophenyl)amino]carbonothioyl}-3-phenylpropanamide, N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-phenyl-propanamide
| Molecular Formula | C16H15N3O4S |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 2.7462 |
| Topological Polar Surface Area | 104.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.07834 |
| Heavy Atoms | 24 |
| Complexity | 765.1728 |
Chemical Identifiers
| CAS Number | 642950-38-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O |
Product Overview
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide (CAS 642950-38-7), with molecular formula C16H15N3O4S and molecular weight 345.08 g/mol. IUPAC: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide.
Chemical Property Profile of N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide
Property Insights of N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide
The XLogP value of 2.7462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide. The TPSA of 104.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide. Following Lipinski's Rule of Five, N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide 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-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide?
The CAS number of N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide is 642950-38-7.
What is the molecular formula of N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide?
The molecular formula of N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide is C16H15N3O4S.
What is the molecular weight of N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide?
The molecular weight of N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide is 345.08 g/mol.
Where can I buy N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide?
You can request a quote for N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.