![methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate structure](/static/products/489/489418-62-4.png)
methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate
TL;DR: methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate (CAS 489418-62-4) is a chemical compound with molecular formula C17H15BrF3N3O3 and molecular weight 445.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-bromo-2-pyridinyl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate
Also Known As: (R)-methyl 2-((5-bromopyridin-2-yl)amino)-3,3,3-trifluoro-2-(2-phenylacetamido)propanoate, methyl 2-[(5-bromo-2-pyridinyl)amino]-3,3,3-trifluoro-2-[(phenylacetyl)amino]propanoate, methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate, methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate, METHYL 2-[(5-BROMO-2-PYRIDYL)AMINO]-3,3,3-TRIFLUORO-2-[(2-PHENYLACETYL)AMINO]PROPANOATE
| Molecular Formula | C17H15BrF3N3O3 |
|---|---|
| Molecular Weight | 445.02 g/mol |
| LogP | 3.0465 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.0249 |
| Heavy Atoms | 27 |
| Complexity | 800.5661 |
Chemical Identifiers
| CAS Number | 489418-62-4 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC1=NC=C(C=C1)Br)NC(=O)CC2=CC=CC=C2 |
Product Overview
methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate (CAS 489418-62-4), with molecular formula C17H15BrF3N3O3 and molecular weight 445.02 g/mol. IUPAC: methyl 2-[(5-bromo-2-pyridinyl)amino]-3,3,3-trifluoro-2-[(2-phenylacetyl)amino]propanoate.
Chemical Property Profile of methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate
Property Insights of methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate
The XLogP value of 3.0465 indicates that methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate. Following Lipinski's Rule of Five, methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate 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 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate?
The CAS number of methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate is 489418-62-4.
What is the molecular formula of methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate?
The molecular formula of methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate is C17H15BrF3N3O3.
What is the molecular weight of methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate?
The molecular weight of methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate is 445.02 g/mol.
Where can I buy methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate?
You can request a quote for methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-(phenylacetyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.