5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one
TL;DR: 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one (CAS 141-33-3) is a chemical compound with molecular formula C7H9ClN2O2 and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
Also Known As: 5-Chloro-2-isopropylpyrimidine-4,6-diol, 5-Chlor-4.6-dihydroxy-2-isopropyl-pyrimidin, 5-Chloro-2-(propan-2-yl)pyrimidine-4,6-diol, 5-chloro-6-hydroxy-2-isopropylpyrimidin-4(1H)-one, 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one
| Molecular Formula | C7H9ClN2O2 |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.03525 |
| Heavy Atoms | 12 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 141-33-3 |
|---|---|
| SMILES | CC(C)C1=NC(=C(C(=O)N1)Cl)O |
| InChIKey | PGSGGZMWYMOBTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one (CAS 141-33-3), with molecular formula C7H9ClN2O2 and molecular weight 188.04 g/mol. IUPAC: 5-chloro-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one
Property Insights of 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 3 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-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one?
The CAS number of 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one is 141-33-3.
What is the molecular formula of 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one?
The molecular formula of 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one is C7H9ClN2O2.
What is the molecular weight of 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one?
The molecular weight of 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one is 188.04 g/mol.
Where can I buy 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one?
You can request a quote for 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-6-hydroxy-2-isopropylpyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.