4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole
TL;DR: 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole (CAS 90093-09-7) is a chemical compound with molecular formula C10H9N3OSe and molecular weight 266.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-phenyl-1,2,5-selenadiazole-3-carboxamide
Also Known As: 4-SDA, 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole, 4-methyl-N-phenyl-1,2,5-selenadiazole-3-carboxamide, KST-1B9113, 1,2,5-Selenadiazole-3-carboxamide, 4-methyl-N-phenyl-
| Molecular Formula | C10H9N3OSe |
|---|---|
| Molecular Weight | 266.99 g/mol |
| LogP | 1.09432 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.9911 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 90093-09-7 |
|---|---|
| SMILES | CC1=N[Se]N=C1C(=O)NC2=CC=CC=C2 |
| InChIKey | STYAXNCOYBWGSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole (CAS 90093-09-7), with molecular formula C10H9N3OSe and molecular weight 266.99 g/mol. IUPAC: 4-methyl-N-phenyl-1,2,5-selenadiazole-3-carboxamide.
Chemical Property Profile of 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole
Property Insights of 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole
The XLogP value of 1.09432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole. With a topological polar surface area (TPSA) of 54.9 Ų, 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole has 1 hydrogen bond donor(s) and 3 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 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole?
The CAS number of 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole is 90093-09-7.
What is the molecular formula of 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole?
The molecular formula of 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole is C10H9N3OSe.
What is the molecular weight of 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole?
The molecular weight of 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole is 266.99 g/mol.
Where can I buy 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole?
You can request a quote for 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-phenylcarbamoyl-1,2,5-selenadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.