![METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE structure](/static/products/4450/445017-55-0.webp)
METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE
TL;DR: METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE (CAS 445017-55-0) is a chemical compound with molecular formula C21H20F3N3O3S2 and molecular weight 483.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE, methyl 2-({[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl]carbonyl}amino)-4,5-dimethylthiophene-3-carboxylate, methyl 2-(1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamido)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C21H20F3N3O3S2 |
|---|---|
| Molecular Weight | 483.09 g/mol |
| LogP | 5.49334 |
| Topological Polar Surface Area | 94.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 483.0898 |
| Heavy Atoms | 32 |
| Complexity | 1261.1646 |
Chemical Identifiers
| CAS Number | 445017-55-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C3=C(S2)N=C(C4=C3CCCC4)C(F)(F)F)N)C |
Product Overview
METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE (CAS 445017-55-0), with molecular formula C21H20F3N3O3S2 and molecular weight 483.09 g/mol. IUPAC: methyl 2-[[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE
Property Insights of METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE
The XLogP value of 5.49334 indicates that METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.31 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE. Following Lipinski's Rule of Five, METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE?
The CAS number of METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE is 445017-55-0.
What is the molecular formula of METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE?
The molecular formula of METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE is C21H20F3N3O3S2.
What is the molecular weight of METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE?
The molecular weight of METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE is 483.09 g/mol.
Where can I buy METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE?
You can request a quote for METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 2-({[1-AMINO-5-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROTHIENO[2,3-C]ISOQUINOLIN-2-YL]CARBONYL}AMINO)-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.