BAS 00232728
TL;DR: BAS 00232728 (CAS 331648-96-5) is a chemical compound with molecular formula C21H30N2O4 and molecular weight 374.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00232728, hexyl 2-hydroxy-4-methyl-6-(2-propoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate, hexyl 4-methyl-2-oxo-6-(2-propoxyphenyl)-1,3,6-trihydropyrimidine-5-carboxylat e, hexyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, hexyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C21H30N2O4 |
|---|---|
| Molecular Weight | 374.22 g/mol |
| LogP | 4.2268 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 374.22055 |
| Heavy Atoms | 27 |
| Complexity | 684.5141 |
Chemical Identifiers
| CAS Number | 331648-96-5 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OCCC)C |
Product Overview
BAS 00232728 (CAS 331648-96-5), with molecular formula C21H30N2O4 and molecular weight 374.22 g/mol. IUPAC: hexyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00232728
Property Insights of BAS 00232728
The XLogP value of 4.2268 indicates that BAS 00232728 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 00232728. Following Lipinski's Rule of Five, BAS 00232728 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 00232728?
The CAS number of BAS 00232728 is 331648-96-5.
What is the molecular formula of BAS 00232728?
The molecular formula of BAS 00232728 is C21H30N2O4.
What is the molecular weight of BAS 00232728?
The molecular weight of BAS 00232728 is 374.22 g/mol.
Where can I buy BAS 00232728?
You can request a quote for BAS 00232728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00232728?
Yes, KEHONG BIO provides custom synthesis services for BAS 00232728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.