ChemDiv1_001330
TL;DR: ChemDiv1_001330 (CAS 303137-25-9) is a chemical compound with molecular formula C17H21BrN2O6 and molecular weight 428.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_001330, BAS 00702951, 2-methoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, AB00094436-01, 2-methoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C17H21BrN2O6 |
|---|---|
| Molecular Weight | 428.06 g/mol |
| LogP | 2.323 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.0583 |
| Heavy Atoms | 26 |
| Complexity | 749.0138 |
Chemical Identifiers
| CAS Number | 303137-25-9 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCCOC |
Product Overview
ChemDiv1_001330 (CAS 303137-25-9), with molecular formula C17H21BrN2O6 and molecular weight 428.06 g/mol. IUPAC: 2-methoxyethyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001330
Property Insights of ChemDiv1_001330
The XLogP value of 2.323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001330. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001330. Following Lipinski's Rule of Five, ChemDiv1_001330 has 2 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_001330?
The CAS number of ChemDiv1_001330 is 303137-25-9.
What is the molecular formula of ChemDiv1_001330?
The molecular formula of ChemDiv1_001330 is C17H21BrN2O6.
What is the molecular weight of ChemDiv1_001330?
The molecular weight of ChemDiv1_001330 is 428.06 g/mol.
Where can I buy ChemDiv1_001330?
You can request a quote for ChemDiv1_001330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001330?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.