![N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide structure](/static/products/817/817567-91-2.png)
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide
TL;DR: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide (CAS 817567-91-2) is a chemical compound with molecular formula C16H14ClFN2OS and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide
Also Known As: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide, AN-329/42724799, N-(3-chloro-4-fluorophenyl)-N'-(3-phenylpropanoyl)thiourea, N-{[(3-chloro-4-fluorophenyl)amino]carbonothioyl}-3-phenylpropanamide
| Molecular Formula | C16H14ClFN2OS |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | 3.9249 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.04993 |
| Heavy Atoms | 22 |
| Complexity | 679.10095 |
Chemical Identifiers
| CAS Number | 817567-91-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl |
Product Overview
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide (CAS 817567-91-2), with molecular formula C16H14ClFN2OS and molecular weight 336.05 g/mol. IUPAC: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide.
Chemical Property Profile of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide
Property Insights of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide
The XLogP value of 3.9249 indicates that N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide has 2 hydrogen bond donor(s) and 2 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-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide?
The CAS number of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide is 817567-91-2.
What is the molecular formula of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide?
The molecular formula of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide is C16H14ClFN2OS.
What is the molecular weight of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide?
The molecular weight of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide is 336.05 g/mol.
Where can I buy N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide?
You can request a quote for N-[(3-chloro-4-fluorophenyl)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-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.