BAS 09867663
TL;DR: BAS 09867663 (CAS 876716-66-4) is a chemical compound with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-methyl-2-(4-methylphenyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Also Known As: BAS 09867663, (5-Methyl-7-oxo-2-p-tolyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-acetic acid methyl ester, methyl 2-[5-methyl-2-(4-methylphenyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate, methyl [7-hydroxy-5-methyl-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate, 2-[5-methyl-2-(4-methylphenyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester
| Molecular Formula | C16H16N4O3 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 1.41694 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.12225 |
| Heavy Atoms | 23 |
| Complexity | 938.354 |
Chemical Identifiers
| CAS Number | 876716-66-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=NC(=C(C(=O)N3N2)CC(=O)OC)C |
Product Overview
BAS 09867663 (CAS 876716-66-4), with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol. IUPAC: methyl 2-[5-methyl-2-(4-methylphenyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.
Chemical Property Profile of BAS 09867663
Property Insights of BAS 09867663
The XLogP value of 1.41694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09867663. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09867663. Following Lipinski's Rule of Five, BAS 09867663 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 09867663?
The CAS number of BAS 09867663 is 876716-66-4.
What is the molecular formula of BAS 09867663?
The molecular formula of BAS 09867663 is C16H16N4O3.
What is the molecular weight of BAS 09867663?
The molecular weight of BAS 09867663 is 312.12 g/mol.
Where can I buy BAS 09867663?
You can request a quote for BAS 09867663 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09867663?
Yes, KEHONG BIO provides custom synthesis services for BAS 09867663 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.