![N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide structure](/static/products/4296/429634-77-5.webp)
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide
TL;DR: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide (CAS 429634-77-5) is a chemical compound with molecular formula C11H10ClF3N2OS and molecular weight 310.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-propionylthiourea, N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide
| Molecular Formula | C11H10ClF3N2OS |
|---|---|
| Molecular Weight | 310.02 g/mol |
| LogP | 3.5818 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.01544 |
| Heavy Atoms | 19 |
| Complexity | 505.20392 |
Chemical Identifiers
| CAS Number | 429634-77-5 |
|---|---|
| SMILES | CCC(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)Cl |
Product Overview
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide (CAS 429634-77-5), with molecular formula C11H10ClF3N2OS and molecular weight 310.02 g/mol. IUPAC: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide.
Chemical Property Profile of N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide
Property Insights of N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide
The XLogP value of 3.5818 indicates that N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide 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-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide 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-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide?
The CAS number of N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide is 429634-77-5.
What is the molecular formula of N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide?
The molecular formula of N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide is C11H10ClF3N2OS.
What is the molecular weight of N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide?
The molecular weight of N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide is 310.02 g/mol.
Where can I buy N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide?
You can request a quote for N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.