![1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene structure](/static/products/404/40490-41-3.png)
1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene
TL;DR: 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene (CAS 40490-41-3) is a chemical compound with molecular formula C13H8N2O5S and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene
Also Known As: Bis(3-nitrophenyl) thioketoneoxide, 3,3 -Dinitrothiobenzophenone S-oxide, 1-nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene, 1-nitro-3-[(3-nitrophenyl)(sulfinyl)methyl]benzene, J1.194.064A
| Molecular Formula | C13H8N2O5S |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 2.2848 |
| Topological Polar Surface Area | 103.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.01538 |
| Heavy Atoms | 21 |
| Complexity | 724.136 |
Chemical Identifiers
| CAS Number | 40490-41-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=S=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene (CAS 40490-41-3), with molecular formula C13H8N2O5S and molecular weight 304.02 g/mol. IUPAC: 1-nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene.
Chemical Property Profile of 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene
Property Insights of 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene
The XLogP value of 2.2848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene. The TPSA of 103.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene. Following Lipinski's Rule of Five, 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene 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 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene?
The CAS number of 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene is 40490-41-3.
What is the molecular formula of 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene?
The molecular formula of 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene is C13H8N2O5S.
What is the molecular weight of 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene?
The molecular weight of 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene is 304.02 g/mol.
Where can I buy 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene?
You can request a quote for 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-3-[(3-nitrophenyl)-sulfinylmethyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.