![propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate structure](/static/products/5183/518318-45-1.webp)
propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate
TL;DR: propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate (CAS 518318-45-1) is a chemical compound with molecular formula C20H20F3NO7S and molecular weight 475.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-[(4-methoxyphenyl)sulfonylamino]phenyl]-3-oxobutanoate
Also Known As: propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate, F1269-1418, propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-[(4-methoxyphenyl)sulfonylamino]phenyl]-3-oxobutanoate, isopropyl 4,4,4-trifluoro-2-(2-hydroxy-5-{[(4-methoxyphenyl)sulfonyl]amino}phenyl)-3-oxobutanoate, isopropyl 4,4,4-trifluoro-2-(2-hydroxy-5-(4-methoxyphenylsulfonamido)phenyl)-3-oxobutanoate
| Molecular Formula | C20H20F3NO7S |
|---|---|
| Molecular Weight | 475.09 g/mol |
| LogP | 3.3682 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.09125 |
| Heavy Atoms | 32 |
| Complexity | 1097.1667 |
Chemical Identifiers
| CAS Number | 518318-45-1 |
|---|---|
| SMILES | CC(C)OC(=O)C(C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)OC)O)C(=O)C(F)(F)F |
Product Overview
propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate (CAS 518318-45-1), with molecular formula C20H20F3NO7S and molecular weight 475.09 g/mol. IUPAC: propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-[(4-methoxyphenyl)sulfonylamino]phenyl]-3-oxobutanoate.
Chemical Property Profile of propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate
Property Insights of propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate
The XLogP value of 3.3682 indicates that propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate. Following Lipinski's Rule of Five, propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate 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 propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate?
The CAS number of propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate is 518318-45-1.
What is the molecular formula of propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate?
The molecular formula of propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate is C20H20F3NO7S.
What is the molecular weight of propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate?
The molecular weight of propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate is 475.09 g/mol.
Where can I buy propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate?
You can request a quote for propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 4,4,4-trifluoro-2-[2-hydroxy-5-(4-methoxybenzenesulfonamido)phenyl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.