ChemDiv1_000823
TL;DR: ChemDiv1_000823 (CAS 301321-33-5) is a chemical compound with molecular formula C22H21BrN2O5 and molecular weight 472.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_000823, BAS 00589803, 2-phenylethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-PHENYLETHYL 4-(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)-1,6-DIMETHYL-2-OXO-3,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE, 2-phenylethyl 6-(6-bromo(2H-benzo[d]1,3-dioxolan-5-yl))-3,4-dimethyl-2-oxo-1,3 ,6-trihydropyrimidine-5-carboxylate
| Molecular Formula | C22H21BrN2O5 |
|---|---|
| Molecular Weight | 472.06 g/mol |
| LogP | 3.9338 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.0634 |
| Heavy Atoms | 30 |
| Complexity | 1021.688 |
Chemical Identifiers
| CAS Number | 301321-33-5 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCC4=CC=CC=C4 |
Product Overview
ChemDiv1_000823 (CAS 301321-33-5), with molecular formula C22H21BrN2O5 and molecular weight 472.06 g/mol. IUPAC: 2-phenylethyl 6-(6-bromo-1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000823
Property Insights of ChemDiv1_000823
The XLogP value of 3.9338 indicates that ChemDiv1_000823 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000823. Following Lipinski's Rule of Five, ChemDiv1_000823 has 1 hydrogen bond donor(s) and 5 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_000823?
The CAS number of ChemDiv1_000823 is 301321-33-5.
What is the molecular formula of ChemDiv1_000823?
The molecular formula of ChemDiv1_000823 is C22H21BrN2O5.
What is the molecular weight of ChemDiv1_000823?
The molecular weight of ChemDiv1_000823 is 472.06 g/mol.
Where can I buy ChemDiv1_000823?
You can request a quote for ChemDiv1_000823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000823?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.