BAS 00101142
TL;DR: BAS 00101142 (CAS 282108-44-5) is a chemical compound with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00101142, benzyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 4-(4-Ethoxy-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid benzyl ester, benzyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, benzyl 6-(4-ethoxyphenyl)-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C21H22N2O4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 3.4566 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.15796 |
| Heavy Atoms | 27 |
| Complexity | 844.2451 |
Chemical Identifiers
| CAS Number | 282108-44-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC3=CC=CC=C3 |
Product Overview
BAS 00101142 (CAS 282108-44-5), with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol. IUPAC: benzyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00101142
Property Insights of BAS 00101142
The XLogP value of 3.4566 indicates that BAS 00101142 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00101142. Following Lipinski's Rule of Five, BAS 00101142 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 00101142?
The CAS number of BAS 00101142 is 282108-44-5.
What is the molecular formula of BAS 00101142?
The molecular formula of BAS 00101142 is C21H22N2O4.
What is the molecular weight of BAS 00101142?
The molecular weight of BAS 00101142 is 366.16 g/mol.
Where can I buy BAS 00101142?
You can request a quote for BAS 00101142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00101142?
Yes, KEHONG BIO provides custom synthesis services for BAS 00101142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.