ChemDiv1_001371
TL;DR: ChemDiv1_001371 (CAS 306286-82-8) is a chemical compound with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxyethyl 3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_001371, BAS 00655327, BIM-0029104.P001, 2-phenoxyethyl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-phenoxyethyl 3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C21H21N3O6 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.1871 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.14304 |
| Heavy Atoms | 30 |
| Complexity | 989.24603 |
Chemical Identifiers
| CAS Number | 306286-82-8 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCOC3=CC=CC=C3 |
Product Overview
ChemDiv1_001371 (CAS 306286-82-8), with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol. IUPAC: 2-phenoxyethyl 3,4-dimethyl-6-(2-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001371
Property Insights of ChemDiv1_001371
The XLogP value of 3.1871 indicates that ChemDiv1_001371 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_001371. Following Lipinski's Rule of Five, ChemDiv1_001371 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_001371?
The CAS number of ChemDiv1_001371 is 306286-82-8.
What is the molecular formula of ChemDiv1_001371?
The molecular formula of ChemDiv1_001371 is C21H21N3O6.
What is the molecular weight of ChemDiv1_001371?
The molecular weight of ChemDiv1_001371 is 411.14 g/mol.
Where can I buy ChemDiv1_001371?
You can request a quote for ChemDiv1_001371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001371?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.