5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol
TL;DR: 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol (CAS 312619-24-2) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione
Also Known As: 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol, BAS 02141428, BORON-11B TRIFLUORIDE DIETHYL ETHERATE, 5-(4-isopropoxybenzyl)-2,4,6-pyrimidinetriol, AJ-292/14556114
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 312619-24-2 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)CC2=C(NC(=O)NC2=O)O |
| InChIKey | MYGLUXVWMFOENG-UHFFFAOYSA-N |
Product Overview
5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol (CAS 312619-24-2), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol
Property Insights of 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol. Following Lipinski's Rule of Five, 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol has 3 hydrogen bond donor(s) and 4 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 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol?
The CAS number of 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol is 312619-24-2.
What is the molecular formula of 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol?
The molecular formula of 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol is C14H16N2O4.
What is the molecular weight of 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol?
The molecular weight of 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol is 276.11 g/mol.
Where can I buy 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol?
You can request a quote for 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.