(S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate
TL;DR: (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate (CAS 500103-69-5) is a chemical compound with molecular formula C18H13F3N4O8S2 and molecular weight 534.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]propanoate
Also Known As: (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate, methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]propanoate, methyl 3,3,3-trifluoro-N-(furan-2-ylcarbonyl)-2-({5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}amino)alaninate
| Molecular Formula | C18H13F3N4O8S2 |
|---|---|
| Molecular Weight | 534.01 g/mol |
| LogP | 2.7506 |
| Topological Polar Surface Area | 170.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.0127 |
| Heavy Atoms | 35 |
| Complexity | 1355.0416 |
Chemical Identifiers
| CAS Number | 500103-69-5 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3 |
Product Overview
(S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate (CAS 500103-69-5), with molecular formula C18H13F3N4O8S2 and molecular weight 534.01 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]propanoate.
Chemical Property Profile of (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate
Property Insights of (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate
The XLogP value of 2.7506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate. The TPSA of 170.74 Ų indicates high polarity, suggesting (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate?
The CAS number of (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate is 500103-69-5.
What is the molecular formula of (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate?
The molecular formula of (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate is C18H13F3N4O8S2.
What is the molecular weight of (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate?
The molecular weight of (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate is 534.01 g/mol.
Where can I buy (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate?
You can request a quote for (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-2-((5-((4-nitrophenyl)sulfonyl)thiazol-2-yl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.