A3028/0127714
TL;DR: A3028/0127714 (CAS 488707-58-0) is a chemical compound with molecular formula C13H16F3N3O4 and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[(5-methyl-2-pyridinyl)amino]propanoate
Also Known As: A3028/0127714, methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[(5-methylpyridin-2-yl)amino]propanoate, methyl N-(ethoxycarbonyl)-3,3,3-trifluoro-2-[(5-methylpyridin-2-yl)amino]alaninate, (R)-methyl 2-((ethoxycarbonyl)amino)-3,3,3-trifluoro-2-((5-methylpyridin-2-yl)amino)propanoate, 2-Ethoxycarbonylamino-3,3,3-trifluoro-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester
| Molecular Formula | C13H16F3N3O4 |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.10928 |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 488707-58-0 |
|---|---|
| SMILES | CCOC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC=C(C=C1)C |
| InChIKey | SVLPBJICOCJICR-UHFFFAOYSA-N |
Product Overview
A3028/0127714 (CAS 488707-58-0), with molecular formula C13H16F3N3O4 and molecular weight 335.11 g/mol. IUPAC: methyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[(5-methyl-2-pyridinyl)amino]propanoate.
Chemical Property Profile of A3028/0127714
Property Insights of A3028/0127714
The XLogP value of 3.2 indicates that A3028/0127714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for A3028/0127714. Following Lipinski's Rule of Five, A3028/0127714 has 2 hydrogen bond donor(s) and 9 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 A3028/0127714?
The CAS number of A3028/0127714 is 488707-58-0.
What is the molecular formula of A3028/0127714?
The molecular formula of A3028/0127714 is C13H16F3N3O4.
What is the molecular weight of A3028/0127714?
The molecular weight of A3028/0127714 is 335.11 g/mol.
Where can I buy A3028/0127714?
You can request a quote for A3028/0127714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3028/0127714?
Yes, KEHONG BIO provides custom synthesis services for A3028/0127714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.