6-Chlorocytosine
TL;DR: 6-Chlorocytosine (CAS 3289-35-8) is a chemical compound with molecular formula C4H4ClN3O and molecular weight 145.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-chloro-1H-pyrimidin-2-one
Also Known As: 6-Chlorocytosine, 4-Amino-6-chloropyrimidin-2-ol, 4-Chlor-cytosin, 4-amino-6-chloro-1H-pyrimidin-2-one, 4-amino-6-chloropyrimidin-2(1H)-one
| Molecular Formula | C4H4ClN3O |
|---|---|
| Molecular Weight | 145.00 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.00429 |
| Heavy Atoms | 9 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 3289-35-8 |
|---|---|
| SMILES | C1=C(NC(=O)N=C1N)Cl |
| InChIKey | XGKXWYFBNZLIHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chlorocytosine (CAS 3289-35-8), with molecular formula C4H4ClN3O and molecular weight 145.00 g/mol. IUPAC: 4-amino-6-chloro-1H-pyrimidin-2-one.
Chemical Property Profile of 6-Chlorocytosine
Property Insights of 6-Chlorocytosine
The XLogP value of -0.5 indicates that 6-Chlorocytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chlorocytosine. Following Lipinski's Rule of Five, 6-Chlorocytosine has 2 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 6-Chlorocytosine?
The CAS number of 6-Chlorocytosine is 3289-35-8.
What is the molecular formula of 6-Chlorocytosine?
The molecular formula of 6-Chlorocytosine is C4H4ClN3O.
What is the molecular weight of 6-Chlorocytosine?
The molecular weight of 6-Chlorocytosine is 145.00 g/mol.
Where can I buy 6-Chlorocytosine?
You can request a quote for 6-Chlorocytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chlorocytosine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chlorocytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.