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8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one
TL;DR: 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one (CAS 119458-69-4) is a chemical compound with molecular formula C9H3N3O4S and molecular weight 248.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one
Also Known As: 8-nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one, BAS 01052393, 1,2,5-Thiadiazolo[3,4-c]coumarine, 8-nitro-, 8-nitrochromeno[4,3-c]1,2,5-thiadiazol-4-one, [1,2,5]-Thiadiazolo[3,4-c]coumarin, 8-nitro-
| Molecular Formula | C9H3N3O4S |
|---|---|
| Molecular Weight | 248.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.98442 |
| Heavy Atoms | 17 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 119458-69-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C3=NSN=C3C(=O)O2 |
| InChIKey | VRBJJHWBWFFKKR-UHFFFAOYSA-N |
Product Overview
8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one (CAS 119458-69-4), with molecular formula C9H3N3O4S and molecular weight 248.98 g/mol. IUPAC: 8-nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one.
Chemical Property Profile of 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one
Property Insights of 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one. Following Lipinski's Rule of Five, 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one 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 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one?
The CAS number of 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one is 119458-69-4.
What is the molecular formula of 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one?
The molecular formula of 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one is C9H3N3O4S.
What is the molecular weight of 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one?
The molecular weight of 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one is 248.98 g/mol.
Where can I buy 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one?
You can request a quote for 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Nitrochromeno[3,4-c][1,2,5]thiadiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.