1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea
TL;DR: 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea (CAS 640252-62-6) is a chemical compound with molecular formula C16H19ClF3N3O2S and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]butanamide
Also Known As: 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea, 4-chloro-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)butanamide, 4-chloro-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]butanamide, 4-chloro-N-{[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}butanamide
| Molecular Formula | C16H19ClF3N3O2S |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 3.374 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.08386 |
| Heavy Atoms | 26 |
| Complexity | 652.11743 |
Chemical Identifiers
| CAS Number | 640252-62-6 |
|---|---|
| SMILES | C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)CCCCl |
Product Overview
1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea (CAS 640252-62-6), with molecular formula C16H19ClF3N3O2S and molecular weight 409.08 g/mol. IUPAC: 4-chloro-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]butanamide.
Chemical Property Profile of 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea
Property Insights of 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea
The XLogP value of 3.374 indicates that 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea 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 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea?
The CAS number of 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea is 640252-62-6.
What is the molecular formula of 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea?
The molecular formula of 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea is C16H19ClF3N3O2S.
What is the molecular weight of 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea?
The molecular weight of 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea is 409.08 g/mol.
Where can I buy 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea?
You can request a quote for 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-butyryl)-3-(2-morpholin-4-yl-5-trifluoromethyl-phenyl)-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.