1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide
TL;DR: 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide (CAS 1023819-18-2) is a chemical compound with molecular formula C16H12Cl2F3N3O3S and molecular weight 452.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dichlorophenyl)-3-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]thiourea
Also Known As: 1-(2-(4-TRIFLUOROMETHOXYPHENOXY)ACETYL)-4-(2,3-DICHLOROPHENYL)THIOSEMICARBAZIDE, 1-(2,3-dichlorophenyl)-3-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]thiourea, N-{[(2,3-dichlorophenyl)carbamothioyl]amino}-2-[4-(trifluoromethoxy)phenoxy]acetamide, C16H12Cl2F3N3O3S
| Molecular Formula | C16H12Cl2F3N3O3S |
|---|---|
| Molecular Weight | 452.99 g/mol |
| LogP | 4.2886 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.99286 |
| Heavy Atoms | 28 |
| Complexity | 851.2635 |
Chemical Identifiers
| CAS Number | 1023819-18-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)NC(=S)NNC(=O)COC2=CC=C(C=C2)OC(F)(F)F |
Product Overview
1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide (CAS 1023819-18-2), with molecular formula C16H12Cl2F3N3O3S and molecular weight 452.99 g/mol. IUPAC: 1-(2,3-dichlorophenyl)-3-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]thiourea.
Chemical Property Profile of 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide
Property Insights of 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide
The XLogP value of 4.2886 indicates that 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide. Following Lipinski's Rule of Five, 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide has 3 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-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide?
The CAS number of 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide is 1023819-18-2.
What is the molecular formula of 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide?
The molecular formula of 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide is C16H12Cl2F3N3O3S.
What is the molecular weight of 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide?
The molecular weight of 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide is 452.99 g/mol.
Where can I buy 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide?
You can request a quote for 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(4-Trifluoromethoxyphenoxy)acetyl)-4-(2,3-dichlorophenyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.