硫唑嘌呤
TL;DR: 硫唑嘌呤 (CAS 446-86-6) is a chemical compound with molecular formula C9H7N7O2S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫唑嘌呤
6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine
Also Known As: azathioprine, Imuran, Azothioprine, Azanin, Azathioprin
| Molecular Formula | C9H7N7O2S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0382 |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
| Melting Point | 469 to 243.9 °C (decomposes) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 446-86-6 |
|---|---|
| SMILES | CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-] |
| InChIKey | LMEKQMALGUDUQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫唑嘌呤 (CAS 446-86-6), with molecular formula C9H7N7O2S and molecular weight 277.04 g/mol. IUPAC: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine.
Chemical Property Profile of 硫唑嘌呤
Property Insights of 硫唑嘌呤
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫唑嘌呤. The TPSA of 143.0 Ų indicates high polarity, suggesting 硫唑嘌呤 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫唑嘌呤 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
Frequently Asked Questions
What is the CAS number of 硫唑嘌呤?
The CAS number of 硫唑嘌呤 is 446-86-6.
What is the molecular formula of 硫唑嘌呤?
The molecular formula of 硫唑嘌呤 is C9H7N7O2S.
What is the molecular weight of 硫唑嘌呤?
The molecular weight of 硫唑嘌呤 is 277.04 g/mol.
Where can I buy 硫唑嘌呤?
You can request a quote for 硫唑嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫唑嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 硫唑嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.