Acetyltropic acid 4-pyridylmethylamide
TL;DR: Acetyltropic acid 4-pyridylmethylamide (CAS 636-60-2) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-oxo-2-phenyl-3-(pyridin-4-ylmethylamino)propyl] acetate
Also Known As: PAT 4, Acetyltropic acid 4-pyridylmethylamide, [3-oxo-2-phenyl-3-(pyridin-4-ylmethylamino)propyl] acetate, A-((acetyloxy)methyl)-n-(4-pyridinylmethyl)benzeneacetamide, 2-phenyl-2-{[(pyridin-4-yl)methyl]carbamoyl}ethyl acetate
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 636-60-2 |
|---|---|
| SMILES | CC(=O)OCC(C1=CC=CC=C1)C(=O)NCC2=CC=NC=C2 |
| InChIKey | LKPVPUFUDFBNBZ-UHFFFAOYSA-N |
Product Overview
Acetyltropic acid 4-pyridylmethylamide (CAS 636-60-2), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: [3-oxo-2-phenyl-3-(pyridin-4-ylmethylamino)propyl] acetate.
Chemical Property Profile of Acetyltropic acid 4-pyridylmethylamide
Property Insights of Acetyltropic acid 4-pyridylmethylamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyltropic acid 4-pyridylmethylamide. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyltropic acid 4-pyridylmethylamide. Following Lipinski's Rule of Five, Acetyltropic acid 4-pyridylmethylamide has 1 hydrogen bond donor(s) and 4 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 Acetyltropic acid 4-pyridylmethylamide?
The CAS number of Acetyltropic acid 4-pyridylmethylamide is 636-60-2.
What is the molecular formula of Acetyltropic acid 4-pyridylmethylamide?
The molecular formula of Acetyltropic acid 4-pyridylmethylamide is C17H18N2O3.
What is the molecular weight of Acetyltropic acid 4-pyridylmethylamide?
The molecular weight of Acetyltropic acid 4-pyridylmethylamide is 298.13 g/mol.
Where can I buy Acetyltropic acid 4-pyridylmethylamide?
You can request a quote for Acetyltropic acid 4-pyridylmethylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyltropic acid 4-pyridylmethylamide?
Yes, KEHONG BIO provides custom synthesis services for Acetyltropic acid 4-pyridylmethylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.