Smer3
TL;DR: Smer3 (CAS 67200-34-4) is a chemical compound with molecular formula C11H4N4O2 and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-oxa-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one
Also Known As: SMER3(SMER 3), 9H-Indeno[1,2-b][1,2,5]oxadiazolo[3,4-E]pyrazin-9-one, 9H-Indeno[1,2-e][1,2,5]oxadiazolo[3,4-b]pyrazin-9-one, BAS 01964143, SMER3, >=98% (HPLC)
| Molecular Formula | C11H4N4O2 |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.03343 |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 67200-34-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NC4=NON=C4N=C3C2=O |
| InChIKey | SFSSAKVWCKFRHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Smer3 (CAS 67200-34-4), with molecular formula C11H4N4O2 and molecular weight 224.03 g/mol. IUPAC: 13-oxa-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one.
Chemical Property Profile of Smer3
Property Insights of Smer3
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Smer3. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Smer3. Following Lipinski's Rule of Five, Smer3 has 0 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 Smer3?
The CAS number of Smer3 is 67200-34-4.
What is the molecular formula of Smer3?
The molecular formula of Smer3 is C11H4N4O2.
What is the molecular weight of Smer3?
The molecular weight of Smer3 is 224.03 g/mol.
Where can I buy Smer3?
You can request a quote for Smer3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Smer3?
Yes, KEHONG BIO provides custom synthesis services for Smer3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.