BAS 05427449
TL;DR: BAS 05427449 (CAS 528561-40-2) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-methyl-2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate
Also Known As: BAS 05427449, ethyl [5-methyl-2-(4-methylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]acetate, ethyl 2-(5-methyl-7-oxo-2-(p-tolyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetate, ethyl [7-hydroxy-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]acetate, ethyl 2-[5-methyl-2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate
| Molecular Formula | C18H19N3O3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.14264 |
| Heavy Atoms | 24 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 528561-40-2 |
|---|---|
| SMILES | CCOC(=O)CC1=C(N=C2C=C(NN2C1=O)C3=CC=C(C=C3)C)C |
| InChIKey | RHTQFXCILLIJQC-UHFFFAOYSA-N |
Product Overview
BAS 05427449 (CAS 528561-40-2), with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol. IUPAC: ethyl 2-[5-methyl-2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate.
Chemical Property Profile of BAS 05427449
Property Insights of BAS 05427449
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05427449. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05427449. Following Lipinski's Rule of Five, BAS 05427449 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 05427449?
The CAS number of BAS 05427449 is 528561-40-2.
What is the molecular formula of BAS 05427449?
The molecular formula of BAS 05427449 is C18H19N3O3.
What is the molecular weight of BAS 05427449?
The molecular weight of BAS 05427449 is 325.14 g/mol.
Where can I buy BAS 05427449?
You can request a quote for BAS 05427449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05427449?
Yes, KEHONG BIO provides custom synthesis services for BAS 05427449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.