ChemDiv1_005947
TL;DR: ChemDiv1_005947 (CAS 5602-26-6) is a chemical compound with molecular formula C21H19BrN2O7 and molecular weight 490.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_005947, BIM-0000272.P001, 1,3-benzodioxol-5-ylmethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, (2H-1,3-BENZODIOXOL-5-YL)METHYL 4-(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)-6-METHYL-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, 1,3-benzodioxol-5-ylmethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C21H19BrN2O7 |
|---|---|
| Molecular Weight | 490.04 g/mol |
| LogP | 3.2633 |
| Topological Polar Surface Area | 115.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.03757 |
| Heavy Atoms | 31 |
| Complexity | 1099.3761 |
Chemical Identifiers
| CAS Number | 5602-26-6 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC3=CC4=C(C=C3)OCO4 |
Product Overview
ChemDiv1_005947 (CAS 5602-26-6), with molecular formula C21H19BrN2O7 and molecular weight 490.04 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_005947
Property Insights of ChemDiv1_005947
The XLogP value of 3.2633 indicates that ChemDiv1_005947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005947. Following Lipinski's Rule of Five, ChemDiv1_005947 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_005947?
The CAS number of ChemDiv1_005947 is 5602-26-6.
What is the molecular formula of ChemDiv1_005947?
The molecular formula of ChemDiv1_005947 is C21H19BrN2O7.
What is the molecular weight of ChemDiv1_005947?
The molecular weight of ChemDiv1_005947 is 490.04 g/mol.
Where can I buy ChemDiv1_005947?
You can request a quote for ChemDiv1_005947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005947?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.