![ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE structure](/static/products/3259/325995-03-7.webp)
ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
TL;DR: ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE (CAS 325995-03-7) is a chemical compound with molecular formula C19H19F3N2O3S2 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[4-(trifluoromethoxy)phenyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, C19H19F3N2O3S2
| Molecular Formula | C19H19F3N2O3S2 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 5.5111 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.07892 |
| Heavy Atoms | 29 |
| Complexity | 895.3397 |
Chemical Identifiers
| CAS Number | 325995-03-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE (CAS 325995-03-7), with molecular formula C19H19F3N2O3S2 and molecular weight 444.08 g/mol. IUPAC: ethyl 2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
Property Insights of ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
The XLogP value of 5.5111 indicates that ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE?
The CAS number of ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE is 325995-03-7.
What is the molecular formula of ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE?
The molecular formula of ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE is C19H19F3N2O3S2.
What is the molecular weight of ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE?
The molecular weight of ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE is 444.08 g/mol.
Where can I buy ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE?
You can request a quote for ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.