Azathioprine
TL;DR: Azathioprine (CAS 446-86-6) is a chemical compound with molecular formula C9H7N7O2S and molecular weight 277.0382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
Also Known As: azathioprine, Imuran, Azothioprine, Azanin, Azathioprin
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7N7O2S |
| Molecular Weight | 277.0382 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0382 Da |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
| Melting Point | 469 to 471 °F (decomposes) (NTP, 1992) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| SMILES | CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] |
| InChIKey | LMEKQMALGUDUQG-UHFFFAOYSA-N |
Product Description
Applications: Azathioprine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Azathioprine (CAS 446-86-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Azathioprine (CAS 446-86-6) is a pharmaceutical intermediate with the molecular formula C9H7N7O2S and a molecular weight of 277.04 g/mol. Key physical properties include a solubility: less than 1 mg/mL at 73 °F (NTP, 1992). It is also known as azathioprine and Imuran.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Azathioprine
Property Insights of Azathioprine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azathioprine. The TPSA of 143.0 Ų indicates high polarity, suggesting Azathioprine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azathioprine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Azathioprine?
The CAS number of Azathioprine is 446-86-6.
What is the molecular formula of Azathioprine?
The molecular formula of Azathioprine is C9H7N7O2S.
What is the molecular weight of Azathioprine?
The molecular weight of Azathioprine is 277.0382 g/mol.
What are the applications of Azathioprine?
Azathioprine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Azathioprine (CAS 446-86-6) with custom...
Where can I buy Azathioprine?
You can request a quote for Azathioprine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Azathioprine?
Yes, CoreyChem provides custom synthesis services for Azathioprine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.