乙胺嘧啶
TL;DR: 乙胺嘧啶 (CAS 58-14-0) is a chemical compound with molecular formula C12H13ClN4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙胺嘧啶
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
Also Known As: pyrimethamine, Daraprim, Chloridine, Chloridin, Diaminopyritamin
| Molecular Formula | C12H13ClN4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.08287 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
| Melting Point | 451 to 233.9 °C (capillary) |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 58-14-0 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl |
| InChIKey | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙胺嘧啶 (CAS 58-14-0), with molecular formula C12H13ClN4 and molecular weight 248.08 g/mol. IUPAC: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine.
Chemical Property Profile of 乙胺嘧啶
Property Insights of 乙胺嘧啶
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙胺嘧啶. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙胺嘧啶. Following Lipinski's Rule of Five, 乙胺嘧啶 has 2 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 乙胺嘧啶?
The CAS number of 乙胺嘧啶 is 58-14-0.
What is the molecular formula of 乙胺嘧啶?
The molecular formula of 乙胺嘧啶 is C12H13ClN4.
What is the molecular weight of 乙胺嘧啶?
The molecular weight of 乙胺嘧啶 is 248.08 g/mol.
Where can I buy 乙胺嘧啶?
You can request a quote for 乙胺嘧啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙胺嘧啶?
Yes, KEHONG BIO provides custom synthesis services for 乙胺嘧啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.