BAS 03546617
TL;DR: BAS 03546617 (CAS 342779-16-2) is a chemical compound with molecular formula C13H13N5O and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
Also Known As: BAS 03546617, AF-399/14216022, 1-[5-methyl-7-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone, 1-(5-methyl-7-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone, 1-[5-methyl-7-(3-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
| Molecular Formula | C13H13N5O |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 1.551 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.11201 |
| Heavy Atoms | 19 |
| Complexity | 658.6829 |
Chemical Identifiers
| CAS Number | 342779-16-2 |
|---|---|
| SMILES | CC1=C(C(N2C(=NC=N2)N1)C3=CN=CC=C3)C(=O)C |
Product Overview
BAS 03546617 (CAS 342779-16-2), with molecular formula C13H13N5O and molecular weight 255.11 g/mol. IUPAC: 1-(5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone.
Chemical Property Profile of BAS 03546617
Property Insights of BAS 03546617
The XLogP value of 1.551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03546617. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03546617. Following Lipinski's Rule of Five, BAS 03546617 has 1 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 BAS 03546617?
The CAS number of BAS 03546617 is 342779-16-2.
What is the molecular formula of BAS 03546617?
The molecular formula of BAS 03546617 is C13H13N5O.
What is the molecular weight of BAS 03546617?
The molecular weight of BAS 03546617 is 255.11 g/mol.
Where can I buy BAS 03546617?
You can request a quote for BAS 03546617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03546617?
Yes, KEHONG BIO provides custom synthesis services for BAS 03546617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.