4,6-Dichloropyrimidin-2(1h)-one
TL;DR: 4,6-Dichloropyrimidin-2(1h)-one (CAS 6958-47-0) is a chemical compound with molecular formula C4H2Cl2N2O and molecular weight 163.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-1H-pyrimidin-2-one
Also Known As: 4,6-dichloropyrimidin-2(1h)-one, 4,6-Dichloropyrimidin-2-ol, 4,6-dichloro-1H-pyrimidin-2-one, Alogliptin Impurity 39, Alogliptin Impurity 58
| Molecular Formula | C4H2Cl2N2O |
|---|---|
| Molecular Weight | 163.95 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.95442 |
| Heavy Atoms | 9 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 6958-47-0 |
|---|---|
| SMILES | C1=C(NC(=O)N=C1Cl)Cl |
| InChIKey | YFUDLRFOGLVNNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dichloropyrimidin-2(1h)-one (CAS 6958-47-0), with molecular formula C4H2Cl2N2O and molecular weight 163.95 g/mol. IUPAC: 4,6-dichloro-1H-pyrimidin-2-one.
Chemical Property Profile of 4,6-Dichloropyrimidin-2(1h)-one
Property Insights of 4,6-Dichloropyrimidin-2(1h)-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dichloropyrimidin-2(1h)-one. With a topological polar surface area (TPSA) of 41.5 Ų, 4,6-Dichloropyrimidin-2(1h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dichloropyrimidin-2(1h)-one has 1 hydrogen bond donor(s) and 1 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 4,6-Dichloropyrimidin-2(1h)-one?
The CAS number of 4,6-Dichloropyrimidin-2(1h)-one is 6958-47-0.
What is the molecular formula of 4,6-Dichloropyrimidin-2(1h)-one?
The molecular formula of 4,6-Dichloropyrimidin-2(1h)-one is C4H2Cl2N2O.
What is the molecular weight of 4,6-Dichloropyrimidin-2(1h)-one?
The molecular weight of 4,6-Dichloropyrimidin-2(1h)-one is 163.95 g/mol.
Where can I buy 4,6-Dichloropyrimidin-2(1h)-one?
You can request a quote for 4,6-Dichloropyrimidin-2(1h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dichloropyrimidin-2(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloropyrimidin-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.