替莫唑胺
TL;DR: 替莫唑胺 (CAS 85622-93-1) is a chemical compound with molecular formula C6H6N6O2 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
替莫唑胺
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Also Known As: temozolomide, Methazolastone, Temodar, Temodal, Temozolamide
| Molecular Formula | C6H6N6O2 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.05522 |
| Heavy Atoms | 14 |
| Complexity | 315.0 |
| Melting Point | 212 |
| Solubility | 5.09 |
Chemical Identifiers
| CAS Number | 85622-93-1 |
|---|---|
| SMILES | CN1C(=O)N2C=NC(=C2N=N1)C(=O)N |
| InChIKey | BPEGJWRSRHCHSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
替莫唑胺 (CAS 85622-93-1), with molecular formula C6H6N6O2 and molecular weight 194.06 g/mol. IUPAC: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide.
Chemical Property Profile of 替莫唑胺
Property Insights of 替莫唑胺
The XLogP value of -1.1 indicates that 替莫唑胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 替莫唑胺. Following Lipinski's Rule of Five, 替莫唑胺 has 1 hydrogen bond donor(s) and 5 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 替莫唑胺?
The CAS number of 替莫唑胺 is 85622-93-1.
What is the molecular formula of 替莫唑胺?
The molecular formula of 替莫唑胺 is C6H6N6O2.
What is the molecular weight of 替莫唑胺?
The molecular weight of 替莫唑胺 is 194.06 g/mol.
Where can I buy 替莫唑胺?
You can request a quote for 替莫唑胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 替莫唑胺?
Yes, KEHONG BIO provides custom synthesis services for 替莫唑胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.