2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one
TL;DR: 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one (CAS 64411-79-6) is a chemical compound with molecular formula C11H7N3O3S and molecular weight 261.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-8-nitro-[1,3]thiazino[3,2-a]benzimidazol-4-one
Also Known As: 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one, 2-methyl-8-nitro-[1,3]thiazino[3,2-a]benzimidazol-4-one, 2-Methyl-8-nitro-4H-[1,3]thiazino[3,2-a][1,3]benzimidazol-4-one, RefChem:88222
| Molecular Formula | C11H7N3O3S |
|---|---|
| Molecular Weight | 261.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.0208 |
| Heavy Atoms | 18 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 64411-79-6 |
|---|---|
| SMILES | CC1=CC(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2S1 |
| InChIKey | POWIWPDTQMHRHK-UHFFFAOYSA-N |
Product Overview
2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one (CAS 64411-79-6), with molecular formula C11H7N3O3S and molecular weight 261.02 g/mol. IUPAC: 2-methyl-8-nitro-[1,3]thiazino[3,2-a]benzimidazol-4-one.
Chemical Property Profile of 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one
Property Insights of 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one. Following Lipinski's Rule of Five, 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one has 0 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 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one?
The CAS number of 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one is 64411-79-6.
What is the molecular formula of 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one?
The molecular formula of 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one is C11H7N3O3S.
What is the molecular weight of 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one?
The molecular weight of 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one is 261.02 g/mol.
Where can I buy 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one?
You can request a quote for 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-7-nitro-1-thia-4a,9-diaza-fluoren-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.