![(S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/524/524717-04-2.png)
(S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 524717-04-2) is a chemical compound with molecular formula C23H25F3N2O5S and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1,1,1-trifluoro-3-methoxy-3-oxo-2-[(2-phenylacetyl)amino]propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-({1,1,1-trifluoro-3-methoxy-3-oxo-2-[(phenylacetyl)amino]propan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, METHYL 2-({2,2,2-TRIFLUORO-1-(METHOXYCARBONYL)-1-[(2-PHENYLACETYL)AMINO]ETHYL}AMINO)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-[[1,1,1-trifluoro-3-methoxy-3-oxo-2-[(2-phenylacetyl)amino]propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C23H25F3N2O5S |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 4.006 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.14362 |
| Heavy Atoms | 34 |
| Complexity | 1054.8654 |
Chemical Identifiers
| CAS Number | 524717-04-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(C(=O)OC)(C(F)(F)F)NC(=O)CC3=CC=CC=C3 |
Product Overview
(S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 524717-04-2), with molecular formula C23H25F3N2O5S and molecular weight 498.14 g/mol. IUPAC: methyl 2-[[1,1,1-trifluoro-3-methoxy-3-oxo-2-[(2-phenylacetyl)amino]propan-2-yl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 4.006 indicates that (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-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 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 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 (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 524717-04-2.
What is the molecular formula of (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C23H25F3N2O5S.
What is the molecular weight of (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 498.14 g/mol.
Where can I buy (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-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 (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl)amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 2-((1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-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.