BAS 00589810
TL;DR: BAS 00589810 (CAS 301321-23-3) is a chemical compound with molecular formula C21H21ClN2O4 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: BAS 00589810, 2-phenoxyethyl 4-(2-chlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-phenoxyethyl 6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate, 2-phenoxyethyl 4-(2-chlorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C21H21ClN2O4 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 3.9323 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.119 |
| Heavy Atoms | 28 |
| Complexity | 898.2884 |
Chemical Identifiers
| CAS Number | 301321-23-3 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC=CC=C2Cl)C(=O)OCCOC3=CC=CC=C3 |
Product Overview
BAS 00589810 (CAS 301321-23-3), with molecular formula C21H21ClN2O4 and molecular weight 400.12 g/mol. IUPAC: 2-phenoxyethyl 6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00589810
Property Insights of BAS 00589810
The XLogP value of 3.9323 indicates that BAS 00589810 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00589810. Following Lipinski's Rule of Five, BAS 00589810 has 1 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 00589810?
The CAS number of BAS 00589810 is 301321-23-3.
What is the molecular formula of BAS 00589810?
The molecular formula of BAS 00589810 is C21H21ClN2O4.
What is the molecular weight of BAS 00589810?
The molecular weight of BAS 00589810 is 400.12 g/mol.
Where can I buy BAS 00589810?
You can request a quote for BAS 00589810 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00589810?
Yes, KEHONG BIO provides custom synthesis services for BAS 00589810 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.