4,6-Dichloropyrimidine-5-carbonitrile
TL;DR: 4,6-Dichloropyrimidine-5-carbonitrile (CAS 5305-45-3) is a chemical compound with molecular formula C5HCl2N3 and molecular weight 172.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloropyrimidine-5-carbonitrile
Also Known As: 4,6-dichloropyrimidine-5-carbonitrile, 4,6-Dichloro-5-cyanopyrimidine, C5HCl2N3, 4,6-dichloro-pyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile, 4,6-dichloro-
| Molecular Formula | C5HCl2N3 |
|---|---|
| Molecular Weight | 172.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.95476 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 5305-45-3 |
|---|---|
| SMILES | C1=NC(=C(C(=N1)Cl)C#N)Cl |
| InChIKey | IPEBKIMUIHKZJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dichloropyrimidine-5-carbonitrile (CAS 5305-45-3), with molecular formula C5HCl2N3 and molecular weight 172.95 g/mol. IUPAC: 4,6-dichloropyrimidine-5-carbonitrile.
Chemical Property Profile of 4,6-Dichloropyrimidine-5-carbonitrile
Property Insights of 4,6-Dichloropyrimidine-5-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dichloropyrimidine-5-carbonitrile. With a topological polar surface area (TPSA) of 49.6 Ų, 4,6-Dichloropyrimidine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dichloropyrimidine-5-carbonitrile has 0 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 4,6-Dichloropyrimidine-5-carbonitrile?
The CAS number of 4,6-Dichloropyrimidine-5-carbonitrile is 5305-45-3.
What is the molecular formula of 4,6-Dichloropyrimidine-5-carbonitrile?
The molecular formula of 4,6-Dichloropyrimidine-5-carbonitrile is C5HCl2N3.
What is the molecular weight of 4,6-Dichloropyrimidine-5-carbonitrile?
The molecular weight of 4,6-Dichloropyrimidine-5-carbonitrile is 172.95 g/mol.
Where can I buy 4,6-Dichloropyrimidine-5-carbonitrile?
You can request a quote for 4,6-Dichloropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dichloropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.