A3990/0169989
TL;DR: A3990/0169989 (CAS 727406-28-2) is a chemical compound with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-propyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: A3990/0169989, ethyl 5-propyl-7-(4-pyridyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 5-propyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 5-propyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, [1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-5-propyl-7-(4-pyridinyl)-, ethyl ester
| Molecular Formula | C16H19N5O2 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 2.3053 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.15387 |
| Heavy Atoms | 23 |
| Complexity | 723.08167 |
Chemical Identifiers
| CAS Number | 727406-28-2 |
|---|---|
| SMILES | CCCC1=C(C(N2C(=NC=N2)N1)C3=CC=NC=C3)C(=O)OCC |
Product Overview
A3990/0169989 (CAS 727406-28-2), with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol. IUPAC: ethyl 5-propyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of A3990/0169989
Property Insights of A3990/0169989
The XLogP value of 2.3053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3990/0169989. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for A3990/0169989. Following Lipinski's Rule of Five, A3990/0169989 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 A3990/0169989?
The CAS number of A3990/0169989 is 727406-28-2.
What is the molecular formula of A3990/0169989?
The molecular formula of A3990/0169989 is C16H19N5O2.
What is the molecular weight of A3990/0169989?
The molecular weight of A3990/0169989 is 313.15 g/mol.
Where can I buy A3990/0169989?
You can request a quote for A3990/0169989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3990/0169989?
Yes, KEHONG BIO provides custom synthesis services for A3990/0169989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.