Cyclapolin 9
TL;DR: Cyclapolin 9 (CAS 40533-25-3) is a chemical compound with molecular formula C9H4F3N3O4S and molecular weight 306.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide
Also Known As: CYCLAPOLIN 9, Cyclapolin9, 5-methyl-pyrazin-2-carboxamide-4-oxide, 7-Nitro-5-(trifluoromethyl)-2-benzothiazolecarboxamide-3-oxide, J2.603.731J
| Molecular Formula | C9H4F3N3O4S |
|---|---|
| Molecular Weight | 306.99 g/mol |
| LogP | 1.5606 |
| Topological Polar Surface Area | 113.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.98746 |
| Heavy Atoms | 20 |
| Complexity | 740.0935 |
Chemical Identifiers
| CAS Number | 40533-25-3 |
|---|---|
| SMILES | C1=C(C=C(C2=C1[N+](=C(S2)C(=O)N)[O-])[N+](=O)[O-])C(F)(F)F |
Product Overview
Cyclapolin 9 (CAS 40533-25-3), with molecular formula C9H4F3N3O4S and molecular weight 306.99 g/mol. IUPAC: 7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide.
Chemical Property Profile of Cyclapolin 9
Property Insights of Cyclapolin 9
The XLogP value of 1.5606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclapolin 9. The TPSA of 113.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclapolin 9. Following Lipinski's Rule of Five, Cyclapolin 9 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 Cyclapolin 9?
The CAS number of Cyclapolin 9 is 40533-25-3.
What is the molecular formula of Cyclapolin 9?
The molecular formula of Cyclapolin 9 is C9H4F3N3O4S.
What is the molecular weight of Cyclapolin 9?
The molecular weight of Cyclapolin 9 is 306.99 g/mol.
Where can I buy Cyclapolin 9?
You can request a quote for Cyclapolin 9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclapolin 9?
Yes, KEHONG BIO provides custom synthesis services for Cyclapolin 9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.