3-Azidopyrimethamine
TL;DR: 3-Azidopyrimethamine (CAS 95458-40-5) is a chemical compound with molecular formula C12H12ClN7 and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-azido-3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
Also Known As: 3-Azidopyrimethamine, MZPES, 2,4-Mzp, 3-Azidopyrimethamamine ethanesulfonate, 2,4-Pyrimidinediamine, 5-(3-azido-4-chlorophenyl)-6-ethyl-
| Molecular Formula | C12H12ClN7 |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.08426 |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 95458-40-5 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=C(C(=CC=C2)Cl)N=[N+]=[N-] |
| InChIKey | ODARPFBQXSLFJH-UHFFFAOYSA-N |
Product Overview
3-Azidopyrimethamine (CAS 95458-40-5), with molecular formula C12H12ClN7 and molecular weight 289.08 g/mol. IUPAC: 5-(2-azido-3-chlorophenyl)-6-ethylpyrimidine-2,4-diamine.
Chemical Property Profile of 3-Azidopyrimethamine
Property Insights of 3-Azidopyrimethamine
The XLogP value of 3.5 indicates that 3-Azidopyrimethamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Azidopyrimethamine. Following Lipinski's Rule of Five, 3-Azidopyrimethamine has 2 hydrogen bond donor(s) and 6 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 3-Azidopyrimethamine?
The CAS number of 3-Azidopyrimethamine is 95458-40-5.
What is the molecular formula of 3-Azidopyrimethamine?
The molecular formula of 3-Azidopyrimethamine is C12H12ClN7.
What is the molecular weight of 3-Azidopyrimethamine?
The molecular weight of 3-Azidopyrimethamine is 289.08 g/mol.
Where can I buy 3-Azidopyrimethamine?
You can request a quote for 3-Azidopyrimethamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Azidopyrimethamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Azidopyrimethamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.