BAS 09867661
TL;DR: BAS 09867661 (CAS 876716-63-1) is a chemical compound with molecular formula C16H16N4O4 and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(4-methoxyphenyl)-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Also Known As: BAS 09867661, methyl [2-(4-methoxyphenyl)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate, methyl [7-hydroxy-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate, methyl 2-(2-(4-methoxyphenyl)-5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate, methyl 2-[2-(4-methoxyphenyl)-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
| Molecular Formula | C16H16N4O4 |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.11716 |
| Heavy Atoms | 24 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 876716-63-1 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC=C(C=C3)OC)CC(=O)OC |
| InChIKey | OVSUWWCVXQJRRW-UHFFFAOYSA-N |
Product Overview
BAS 09867661 (CAS 876716-63-1), with molecular formula C16H16N4O4 and molecular weight 328.12 g/mol. IUPAC: methyl 2-[2-(4-methoxyphenyl)-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.
Chemical Property Profile of BAS 09867661
Property Insights of BAS 09867661
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 09867661. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09867661. Following Lipinski's Rule of Five, BAS 09867661 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 09867661?
The CAS number of BAS 09867661 is 876716-63-1.
What is the molecular formula of BAS 09867661?
The molecular formula of BAS 09867661 is C16H16N4O4.
What is the molecular weight of BAS 09867661?
The molecular weight of BAS 09867661 is 328.12 g/mol.
Where can I buy BAS 09867661?
You can request a quote for BAS 09867661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09867661?
Yes, KEHONG BIO provides custom synthesis services for BAS 09867661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.