3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one
TL;DR: 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one (CAS 16295-91-3) is a chemical compound with molecular formula C14H9NO3S and molecular weight 271.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-2-nitrofluoren-9-one
Also Known As: 2-nitro-3-methylbenzyl phenyl sulfone, 3-(methylsulfanyl)-2-nitro-9h-fluoren-9-one, 3-methylsulfanyl-2-nitrofluoren-9-one, 2-Nitro-3-methylmercapto-9-oxo-fluoren, 9H-Fluoren-9-one,3-(methylthio)-2-nitro-
| Molecular Formula | C14H9NO3S |
|---|---|
| Molecular Weight | 271.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.0303 |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 16295-91-3 |
|---|---|
| SMILES | CSC1=C(C=C2C(=C1)C3=CC=CC=C3C2=O)[N+](=O)[O-] |
| InChIKey | ICUKYFFDTZKTLQ-UHFFFAOYSA-N |
Product Overview
3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one (CAS 16295-91-3), with molecular formula C14H9NO3S and molecular weight 271.03 g/mol. IUPAC: 3-methylsulfanyl-2-nitrofluoren-9-one.
Chemical Property Profile of 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one
Property Insights of 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one
The XLogP value of 3.4 indicates that 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one. Following Lipinski's Rule of Five, 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one has 0 hydrogen bond donor(s) and 4 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 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one?
The CAS number of 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one is 16295-91-3.
What is the molecular formula of 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one?
The molecular formula of 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one is C14H9NO3S.
What is the molecular weight of 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one?
The molecular weight of 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one is 271.03 g/mol.
Where can I buy 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one?
You can request a quote for 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylsulfanyl)-2-nitro-9h-fluoren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.