methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate
TL;DR: methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate (CAS 606924-07-6) is a chemical compound with molecular formula C17H18F3NO5S and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-2-(thiophene-2-carbonylamino)propanoate
Also Known As: methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate, methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-[(thiophen-2-ylcarbonyl)amino]propanoate, methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-2-(thiophene-2-carbonylamino)propanoate
| Molecular Formula | C17H18F3NO5S |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 3.1532 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.0858 |
| Heavy Atoms | 27 |
| Complexity | 797.9909 |
Chemical Identifiers
| CAS Number | 606924-07-6 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CS2)O)C |
Product Overview
methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate (CAS 606924-07-6), with molecular formula C17H18F3NO5S and molecular weight 405.09 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-2-(thiophene-2-carbonylamino)propanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate
Property Insights of methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate
The XLogP value of 3.1532 indicates that methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate has 2 hydrogen bond donor(s) and 6 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 methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate?
The CAS number of methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate is 606924-07-6.
What is the molecular formula of methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate?
The molecular formula of methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate is C17H18F3NO5S.
What is the molecular weight of methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate?
The molecular weight of methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate is 405.09 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate?
You can request a quote for methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(thiophene-2-carboxamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.