RefChem:304843
TL;DR: RefChem:304843 (CAS 98772-41-9) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid
Also Known As: 1,6-Dihydro-2-(2-(2-methylpropoxy)phenyl)-6-oxo-5-pyrimidinecarboxylic acid, 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-2-((2-((tetrahydro-2-furanyl)methoxy)phenyl)amino)-, 4-Hydroxy-2-{2-[(oxolan-2-yl)methoxy]anilino}pyrimidine-5-carboxylic acid, 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid, BRN 5629217
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 1.7695 |
| Topological Polar Surface Area | 113.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 783.2775 |
Chemical Identifiers
| CAS Number | 98772-41-9 |
|---|---|
| SMILES | C1CC(OC1)COC2=CC=CC=C2NC3=NC=C(C(=O)N3)C(=O)O |
Product Overview
RefChem:304843 (CAS 98772-41-9), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid.
Chemical Property Profile of RefChem:304843
Property Insights of RefChem:304843
The XLogP value of 1.7695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:304843. The TPSA of 113.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:304843. Following Lipinski's Rule of Five, RefChem:304843 has 3 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 RefChem:304843?
The CAS number of RefChem:304843 is 98772-41-9.
What is the molecular formula of RefChem:304843?
The molecular formula of RefChem:304843 is C16H17N3O5.
What is the molecular weight of RefChem:304843?
The molecular weight of RefChem:304843 is 331.12 g/mol.
Where can I buy RefChem:304843?
You can request a quote for RefChem:304843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:304843?
Yes, KEHONG BIO provides custom synthesis services for RefChem:304843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.