5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one
TL;DR: 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one (CAS 14072-39-0) is a chemical compound with molecular formula C5H5ClN2O3 and molecular weight 176.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-4-hydroxy-2-(hydroxymethyl)-1H-pyrimidin-6-one
Also Known As: 5-chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one, 5-chloro-4-hydroxy-2-(hydroxymethyl)-1H-pyrimidin-6-one, 4(3H)-Pyrimidinone,5-chloro-6-hydroxy-2-(hydroxymethyl)-
| Molecular Formula | C5H5ClN2O3 |
|---|---|
| Molecular Weight | 176.00 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.99887 |
| Heavy Atoms | 11 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 14072-39-0 |
|---|---|
| SMILES | C(C1=NC(=C(C(=O)N1)Cl)O)O |
| InChIKey | BZEAETLGGDEKKE-UHFFFAOYSA-N |
Product Overview
5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one (CAS 14072-39-0), with molecular formula C5H5ClN2O3 and molecular weight 176.00 g/mol. IUPAC: 5-chloro-4-hydroxy-2-(hydroxymethyl)-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one
Property Insights of 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one
The XLogP value of -0.7 indicates that 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one. Following Lipinski's Rule of Five, 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one 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-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one?
The CAS number of 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one is 14072-39-0.
What is the molecular formula of 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one?
The molecular formula of 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one is C5H5ClN2O3.
What is the molecular weight of 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one?
The molecular weight of 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one is 176.00 g/mol.
Where can I buy 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one?
You can request a quote for 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-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-(hydroxymethyl)pyrimidin-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-6-hydroxy-2-(hydroxymethyl)pyrimidin-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.