ChemDiv1_001139
TL;DR: ChemDiv1_001139 (CAS 303137-46-4) is a chemical compound with molecular formula C17H19BrN2O5 and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_001139, BAS 00714420, prop-2-en-1-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, allyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, prop-2-enyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,3,6-tri hydropyrimidine-5-carboxylate
| Molecular Formula | C17H19BrN2O5 |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 2.8626 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.04773 |
| Heavy Atoms | 25 |
| Complexity | 759.65027 |
Chemical Identifiers
| CAS Number | 303137-46-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC=C |
Product Overview
ChemDiv1_001139 (CAS 303137-46-4), with molecular formula C17H19BrN2O5 and molecular weight 410.05 g/mol. IUPAC: prop-2-enyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001139
Property Insights of ChemDiv1_001139
The XLogP value of 2.8626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001139. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001139. Following Lipinski's Rule of Five, ChemDiv1_001139 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_001139?
The CAS number of ChemDiv1_001139 is 303137-46-4.
What is the molecular formula of ChemDiv1_001139?
The molecular formula of ChemDiv1_001139 is C17H19BrN2O5.
What is the molecular weight of ChemDiv1_001139?
The molecular weight of ChemDiv1_001139 is 410.05 g/mol.
Where can I buy ChemDiv1_001139?
You can request a quote for ChemDiv1_001139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001139?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.