![diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate structure](/static/products/6802/680214-49-7.webp)
diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate
TL;DR: diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate (CAS 680214-49-7) is a chemical compound with molecular formula C27H21ClF3N2O3PS and molecular weight 576.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)-diphenoxyphosphorylmethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
Also Known As: diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate, 1-[(2-chlorophenyl)-diphenoxyphosphorylmethyl]-3-[3-(trifluoromethyl)phenyl]thiourea, diphenyl (2-chlorophenyl)({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)methylphosphonate
| Molecular Formula | C27H21ClF3N2O3PS |
|---|---|
| Molecular Weight | 576.07 g/mol |
| LogP | 8.6951 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 576.0651 |
| Heavy Atoms | 38 |
| Complexity | 1396.949 |
Chemical Identifiers
| CAS Number | 680214-49-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OP(=O)(C(C2=CC=CC=C2Cl)NC(=S)NC3=CC=CC(=C3)C(F)(F)F)OC4=CC=CC=C4 |
Product Overview
diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate (CAS 680214-49-7), with molecular formula C27H21ClF3N2O3PS and molecular weight 576.07 g/mol. IUPAC: 1-[(2-chlorophenyl)-diphenoxyphosphorylmethyl]-3-[3-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate
Property Insights of diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate
The XLogP value of 8.6951 indicates that diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate?
The CAS number of diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate is 680214-49-7.
What is the molecular formula of diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate?
The molecular formula of diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate is C27H21ClF3N2O3PS.
What is the molecular weight of diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate?
The molecular weight of diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate is 576.07 g/mol.
Where can I buy diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate?
You can request a quote for diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for diphenyl [(2-chlorophenyl)({[3-(trifluoromethyl)anilino]carbothioyl}amino)methyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.