(S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate
TL;DR: (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate (CAS 398145-33-0) is a chemical compound with molecular formula C18H19F3N4O5 and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate
Also Known As: (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate, Ethyl 2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-benzamido-3,3,3-trifluoro-propanoate, ethyl 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate, ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetra-hydropyrimidin-5-yl)-2-benzoylamino-3,3,3-trifluoropropionate, ETHYL 2-(6-AMINO-1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINYL)-2-(BENZOYLAMINO)-3,3,3-TRIFLUOROPROPANOATE
| Molecular Formula | C18H19F3N4O5 |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 0.4169 |
| Topological Polar Surface Area | 125.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.13077 |
| Heavy Atoms | 30 |
| Complexity | 1091.9714 |
Chemical Identifiers
| CAS Number | 398145-33-0 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(N(C(=O)N(C1=O)C)C)N)(C(F)(F)F)NC(=O)C2=CC=CC=C2 |
Product Overview
(S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate (CAS 398145-33-0), with molecular formula C18H19F3N4O5 and molecular weight 428.13 g/mol. IUPAC: ethyl 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate.
Chemical Property Profile of (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate
Property Insights of (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate
The XLogP value of 0.4169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate. The TPSA of 125.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate 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 (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate?
The CAS number of (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate is 398145-33-0.
What is the molecular formula of (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate?
The molecular formula of (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate is C18H19F3N4O5.
What is the molecular weight of (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate?
The molecular weight of (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate is 428.13 g/mol.
Where can I buy (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate?
You can request a quote for (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-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 (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-ethyl 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-benzamido-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.