ChemDiv1_002089
TL;DR: ChemDiv1_002089 (CAS 312723-46-9) is a chemical compound with molecular formula C22H23N3O6 and molecular weight 425.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 3-ethyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_002089, BAS 00915682, BIM-0029732.P001, 2-phenoxyethyl 1-ethyl-6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-phenoxyethyl 3-ethyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,3,6-trihydropyrimidi ne-5-carboxylate
| Molecular Formula | C22H23N3O6 |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 3.5772 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.1587 |
| Heavy Atoms | 31 |
| Complexity | 988.0657 |
Chemical Identifiers
| CAS Number | 312723-46-9 |
|---|---|
| SMILES | CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCOC3=CC=CC=C3)C |
Product Overview
ChemDiv1_002089 (CAS 312723-46-9), with molecular formula C22H23N3O6 and molecular weight 425.16 g/mol. IUPAC: 2-phenoxyethyl 3-ethyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_002089
Property Insights of ChemDiv1_002089
The XLogP value of 3.5772 indicates that ChemDiv1_002089 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002089. Following Lipinski's Rule of Five, ChemDiv1_002089 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_002089?
The CAS number of ChemDiv1_002089 is 312723-46-9.
What is the molecular formula of ChemDiv1_002089?
The molecular formula of ChemDiv1_002089 is C22H23N3O6.
What is the molecular weight of ChemDiv1_002089?
The molecular weight of ChemDiv1_002089 is 425.16 g/mol.
Where can I buy ChemDiv1_002089?
You can request a quote for ChemDiv1_002089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002089?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.