Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate
TL;DR: Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate (CAS 649573-18-2) is a chemical compound with molecular formula C13H14F3NO5 and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4,4-trifluoro-2-formamido-3-hydroxy-3-(4-methoxyphenyl)butanoate
Also Known As: Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate, methyl 4,4,4-trifluoro-2-formamido-3-hydroxy-3-(4-methoxyphenyl)butanoate, AB01316765-02, methyl 4,4,4-trifluoro-3-hydroxy-2-formamido-3-(4-methoxyphenyl)butanoate
| Molecular Formula | C13H14F3NO5 |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 0.7327 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.0824 |
| Heavy Atoms | 22 |
| Complexity | 531.4722 |
Chemical Identifiers
| CAS Number | 649573-18-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C(C(=O)OC)NC=O)(C(F)(F)F)O |
Product Overview
Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate (CAS 649573-18-2), with molecular formula C13H14F3NO5 and molecular weight 321.08 g/mol. IUPAC: methyl 4,4,4-trifluoro-2-formamido-3-hydroxy-3-(4-methoxyphenyl)butanoate.
Chemical Property Profile of Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate
Property Insights of Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate
The XLogP value of 0.7327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate. Following Lipinski's Rule of Five, Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate has 2 hydrogen bond donor(s) and 5 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 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate?
The CAS number of Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate is 649573-18-2.
What is the molecular formula of Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate?
The molecular formula of Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate is C13H14F3NO5.
What is the molecular weight of Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate?
The molecular weight of Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate is 321.08 g/mol.
Where can I buy Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate?
You can request a quote for Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,4,4-trifluoro-2-(formylamino)-3-hydroxy-3-(4-methoxyphenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.