4-Chloro-6-methoxy-5-nitropyrimidine
TL;DR: 4-Chloro-6-methoxy-5-nitropyrimidine (CAS 864759-68-2) is a chemical compound with molecular formula C5H4ClN3O3 and molecular weight 188.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-methoxy-5-nitropyrimidine
Also Known As: 4-chloro-6-methoxy-5-nitropyrimidine, AMY086, 4-Chloro-6-methoxy-5-nitro-pyrimidine, 4-Chlor-5-nitro-6-methoxy-pyrimidin, 4-methoxy-5-nitro-6-chloropyrimidine
| Molecular Formula | C5H4ClN3O3 |
|---|---|
| Molecular Weight | 188.99 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.99413 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 864759-68-2 |
|---|---|
| SMILES | COC1=C(C(=NC=N1)Cl)[N+](=O)[O-] |
| InChIKey | YZTJXHWQWCLEJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-6-methoxy-5-nitropyrimidine (CAS 864759-68-2), with molecular formula C5H4ClN3O3 and molecular weight 188.99 g/mol. IUPAC: 4-chloro-6-methoxy-5-nitropyrimidine.
Chemical Property Profile of 4-Chloro-6-methoxy-5-nitropyrimidine
Property Insights of 4-Chloro-6-methoxy-5-nitropyrimidine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-6-methoxy-5-nitropyrimidine. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-6-methoxy-5-nitropyrimidine. Following Lipinski's Rule of Five, 4-Chloro-6-methoxy-5-nitropyrimidine has 0 hydrogen bond donor(s) and 5 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-Chloro-6-methoxy-5-nitropyrimidine?
The CAS number of 4-Chloro-6-methoxy-5-nitropyrimidine is 864759-68-2.
What is the molecular formula of 4-Chloro-6-methoxy-5-nitropyrimidine?
The molecular formula of 4-Chloro-6-methoxy-5-nitropyrimidine is C5H4ClN3O3.
What is the molecular weight of 4-Chloro-6-methoxy-5-nitropyrimidine?
The molecular weight of 4-Chloro-6-methoxy-5-nitropyrimidine is 188.99 g/mol.
Where can I buy 4-Chloro-6-methoxy-5-nitropyrimidine?
You can request a quote for 4-Chloro-6-methoxy-5-nitropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-6-methoxy-5-nitropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-methoxy-5-nitropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.