Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate
TL;DR: Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate (CAS 339339-42-3) is a chemical compound with molecular formula C17H23F3NO6P and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzamido-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate
Also Known As: methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate, methyl 2-benzamido-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate, methyl 2-(diisopropoxyphosphoryl)-3,3,3-trifluoro-2-(phenylformamido)propanoate, METHYL2-(BENZOYLAMINO)-2-(DIISOPROPOXYPHOSPHORYL)-3,3,3-TRIFLUOROPROPANOATE
| Molecular Formula | C17H23F3NO6P |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 3.8911 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.12152 |
| Heavy Atoms | 28 |
| Complexity | 724.1583 |
Chemical Identifiers
| CAS Number | 339339-42-3 |
|---|---|
| SMILES | CC(C)OP(=O)(C(C(=O)OC)(C(F)(F)F)NC(=O)C1=CC=CC=C1)OC(C)C |
Product Overview
Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate (CAS 339339-42-3), with molecular formula C17H23F3NO6P and molecular weight 425.12 g/mol. IUPAC: methyl 2-benzamido-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate.
Chemical Property Profile of Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate
Property Insights of Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate
The XLogP value of 3.8911 indicates that Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate has 1 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 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate?
The CAS number of Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate is 339339-42-3.
What is the molecular formula of Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate?
The molecular formula of Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate is C17H23F3NO6P.
What is the molecular weight of Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate?
The molecular weight of Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate is 425.12 g/mol.
Where can I buy Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate?
You can request a quote for Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(benzoylamino)-2-(diisopropoxyphosphoryl)-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.