BAS 03539564
TL;DR: BAS 03539564 (CAS 418797-98-5) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 03539564, AB00090178-01, ethyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-methyl-2-oxo-6-(4-propoxyphenyl)-1,3,6-trihydropyrimidine-5-carboxylat e, ethyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 2.6664 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 607.5243 |
Chemical Identifiers
| CAS Number | 418797-98-5 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC |
Product Overview
BAS 03539564 (CAS 418797-98-5), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: ethyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 03539564
Property Insights of BAS 03539564
The XLogP value of 2.6664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03539564. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539564. Following Lipinski's Rule of Five, BAS 03539564 has 2 hydrogen bond donor(s) and 4 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 03539564?
The CAS number of BAS 03539564 is 418797-98-5.
What is the molecular formula of BAS 03539564?
The molecular formula of BAS 03539564 is C17H22N2O4.
What is the molecular weight of BAS 03539564?
The molecular weight of BAS 03539564 is 318.16 g/mol.
Where can I buy BAS 03539564?
You can request a quote for BAS 03539564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539564?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.