ChemDiv1_001901
TL;DR: ChemDiv1_001901 (CAS 304450-27-9) is a chemical compound with molecular formula C20H19N3O7 and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_001901, BAS 00915438, 2-phenoxyethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, A1736/0073765, 2-phenoxyethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C20H19N3O7 |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 2.5505 |
| Topological Polar Surface Area | 140.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.1223 |
| Heavy Atoms | 30 |
| Complexity | 1004.7146 |
Chemical Identifiers
| CAS Number | 304450-27-9 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OCCOC3=CC=CC=C3 |
Product Overview
ChemDiv1_001901 (CAS 304450-27-9), with molecular formula C20H19N3O7 and molecular weight 413.12 g/mol. IUPAC: 2-phenoxyethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001901
Property Insights of ChemDiv1_001901
The XLogP value of 2.5505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001901. The TPSA of 140.03 Ų indicates high polarity, suggesting ChemDiv1_001901 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_001901 has 3 hydrogen bond donor(s) and 7 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_001901?
The CAS number of ChemDiv1_001901 is 304450-27-9.
What is the molecular formula of ChemDiv1_001901?
The molecular formula of ChemDiv1_001901 is C20H19N3O7.
What is the molecular weight of ChemDiv1_001901?
The molecular weight of ChemDiv1_001901 is 413.12 g/mol.
Where can I buy ChemDiv1_001901?
You can request a quote for ChemDiv1_001901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001901?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.