IFLab1_001088
TL;DR: IFLab1_001088 (CAS 7733-96-2) is a chemical compound with molecular formula C12H6N2O4S2 and molecular weight 305.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-oxido-4-(thiophene-2-carbonyl)-1,2,5-oxadiazol-5-ium-3-yl]-thiophen-2-ylmethanone
Also Known As: IFLab1_001088, 3,4-Bis(2-thenoyl)furazan 2-oxide, 3,4-Bis<2-thienylcarbonyl>furazan-oxid, IDI1_008955, 3,4-bis(2-thienoyl)-1,2,5-oxadiazole-N-oxide
| Molecular Formula | C12H6N2O4S2 |
|---|---|
| Molecular Weight | 305.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.9769 |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 7733-96-2 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=CS3)[O-] |
| InChIKey | RUQGCDMXFBOTMW-UHFFFAOYSA-N |
Product Overview
IFLab1_001088 (CAS 7733-96-2), with molecular formula C12H6N2O4S2 and molecular weight 305.98 g/mol. IUPAC: [5-oxido-4-(thiophene-2-carbonyl)-1,2,5-oxadiazol-5-ium-3-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of IFLab1_001088
Property Insights of IFLab1_001088
The XLogP value of 3.4 indicates that IFLab1_001088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting IFLab1_001088 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, IFLab1_001088 has 0 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 IFLab1_001088?
The CAS number of IFLab1_001088 is 7733-96-2.
What is the molecular formula of IFLab1_001088?
The molecular formula of IFLab1_001088 is C12H6N2O4S2.
What is the molecular weight of IFLab1_001088?
The molecular weight of IFLab1_001088 is 305.98 g/mol.
Where can I buy IFLab1_001088?
You can request a quote for IFLab1_001088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001088?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.