BAS 04852017
TL;DR: BAS 04852017 (CAS 444789-98-4) is a chemical compound with molecular formula C17H16ClN3O3 and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate
Also Known As: BAS 04852017, ethyl 2-(3-(4-chlorophenyl)-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetate, ethyl [3-(4-chlorophenyl)-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]acetate, ethyl [3-(4-chlorophenyl)-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]acetate, ethyl 2-[3-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate
| Molecular Formula | C17H16ClN3O3 |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.088 |
| Heavy Atoms | 24 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 444789-98-4 |
|---|---|
| SMILES | CCOC(=O)CC1=C(N=C2C(=CNN2C1=O)C3=CC=C(C=C3)Cl)C |
| InChIKey | VJRJFATUDBEHAW-UHFFFAOYSA-N |
Product Overview
BAS 04852017 (CAS 444789-98-4), with molecular formula C17H16ClN3O3 and molecular weight 345.09 g/mol. IUPAC: ethyl 2-[3-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate.
Chemical Property Profile of BAS 04852017
Property Insights of BAS 04852017
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04852017. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04852017. Following Lipinski's Rule of Five, BAS 04852017 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 04852017?
The CAS number of BAS 04852017 is 444789-98-4.
What is the molecular formula of BAS 04852017?
The molecular formula of BAS 04852017 is C17H16ClN3O3.
What is the molecular weight of BAS 04852017?
The molecular weight of BAS 04852017 is 345.09 g/mol.
Where can I buy BAS 04852017?
You can request a quote for BAS 04852017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04852017?
Yes, KEHONG BIO provides custom synthesis services for BAS 04852017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.