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N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide
TL;DR: N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide (CAS 642955-12-2) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide
Also Known As: N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide, N-{[(4-nitrophenyl)amino]carbonothioyl}-3-phenylpropanamide, N-{[(4-nitrophenyl)amino]thioxomethyl}-3-phenylpropanamide
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.0406 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 702.2702 |
Chemical Identifiers
| CAS Number | 642955-12-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide (CAS 642955-12-2), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide.
Chemical Property Profile of N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide
Property Insights of N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide
The XLogP value of 3.0406 indicates that N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide. Following Lipinski's Rule of Five, N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide has 2 hydrogen bond donor(s) and 4 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-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide?
The CAS number of N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide is 642955-12-2.
What is the molecular formula of N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide?
The molecular formula of N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide is C16H15N3O3S.
What is the molecular weight of N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide?
The molecular weight of N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide is 329.08 g/mol.
Where can I buy N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide?
You can request a quote for N-[(4-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-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-nitrophenyl)carbamothioyl]-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.