![methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate structure](/static/products/355/355147-24-9.png)
methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate
TL;DR: methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate (CAS 355147-24-9) is a chemical compound with molecular formula C18H11F8NO4 and molecular weight 457.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-hydroxy-2-[3-methyl-4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]propanoate
Also Known As: methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate, methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-(perfluorobenzamido)phenyl)propanoate, methyl 3,3,3-trifluoro-2-hydroxy-2-{3-methyl-4-[(pentafluorobenzoyl)amino]phenyl}propanoate, Benzeneacetic acid, .alpha.-hydroxy-3-methyl-4-[(2,3,4,5,6-pentafluorobenzoyl)amino]-.alpha.-(trifluoromethyl)-, methyl ester, METHYL 3,3,3-TRIFLUORO-2-HYDROXY-2-[3-METHYL-4-(2,3,4,5,6-PENTAFLUOROBENZAMIDO)PHENYL]PROPANOATE
| Molecular Formula | C18H11F8NO4 |
|---|---|
| Molecular Weight | 457.06 g/mol |
| LogP | 3.86572 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.05603 |
| Heavy Atoms | 31 |
| Complexity | 1040.496 |
Chemical Identifiers
| CAS Number | 355147-24-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C(=O)OC)(C(F)(F)F)O)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate (CAS 355147-24-9), with molecular formula C18H11F8NO4 and molecular weight 457.06 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-hydroxy-2-[3-methyl-4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]propanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate
Property Insights of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate
The XLogP value of 3.86572 indicates that methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate has 2 hydrogen bond donor(s) and 4 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-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate?
The CAS number of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate is 355147-24-9.
What is the molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate?
The molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate is C18H11F8NO4.
What is the molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate?
The molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate is 457.06 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate?
You can request a quote for methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)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-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-hydroxy-2-(3-methyl-4-{[(pentafluorophenyl)carbonyl]amino}phenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.