ChemDiv1_000853
TL;DR: ChemDiv1_000853 (CAS 296262-57-2) is a chemical compound with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_000853, BAS 00101158, Benzyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 4-(6-Bromo-benzo[1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid benzyl ester, benzyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C20H17BrN2O5 |
|---|---|
| Molecular Weight | 444.03 g/mol |
| LogP | 3.5491 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.03207 |
| Heavy Atoms | 28 |
| Complexity | 974.0614 |
Chemical Identifiers
| CAS Number | 296262-57-2 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCC4=CC=CC=C4 |
Product Overview
ChemDiv1_000853 (CAS 296262-57-2), with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol. IUPAC: benzyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_000853
Property Insights of ChemDiv1_000853
The XLogP value of 3.5491 indicates that ChemDiv1_000853 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000853. Following Lipinski's Rule of Five, ChemDiv1_000853 has 2 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_000853?
The CAS number of ChemDiv1_000853 is 296262-57-2.
What is the molecular formula of ChemDiv1_000853?
The molecular formula of ChemDiv1_000853 is C20H17BrN2O5.
What is the molecular weight of ChemDiv1_000853?
The molecular weight of ChemDiv1_000853 is 444.03 g/mol.
Where can I buy ChemDiv1_000853?
You can request a quote for ChemDiv1_000853 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000853?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000853 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.