![methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/374/374549-49-2.png)
methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 374549-49-2) is a chemical compound with molecular formula C21H20F6N2O3S and molecular weight 494.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-({1,1,1,3,3,3-hexafluoro-2-[(phenylcarbonyl)amino]propan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C21H20F6N2O3S |
|---|---|
| Molecular Weight | 494.11 g/mol |
| LogP | 5.4664 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.1099 |
| Heavy Atoms | 33 |
| Complexity | 1003.4878 |
Chemical Identifiers
| CAS Number | 374549-49-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC=CC=C3 |
Product Overview
methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 374549-49-2), with molecular formula C21H20F6N2O3S and molecular weight 494.11 g/mol. IUPAC: methyl 2-[(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 5.4664 indicates that methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[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 methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 374549-49-2.
What is the molecular formula of methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C21H20F6N2O3S.
What is the molecular weight of methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 494.11 g/mol.
Where can I buy methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[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 methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.