![1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one structure](/static/products/945/94547-82-7.png)
1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one
TL;DR: 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one (CAS 94547-82-7) is a chemical compound with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2-dimethyl-5-nitroindol-3-yl)-1,2-dimethyl-5-nitroindol-3-one
Also Known As: 2-(1,2-dimethyl-5-nitroindol-3-yl)-1,2-dimethyl-5-nitroindol-3-one, 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one, 1,1',2,2'-tetramethyl-5,5'-dinitro-1,2-dihydro-1'h,3h-2,3'-biindol-3-one, 2-(1,2-dimethyl-5-nitroindol-3-yl)-1,2-dimethyl-5-nitroindol, 2-(1,2-dimethyl-5-nitro-indol-3-yl)-1,2-dimethyl-5-nitro-indol-3-one
| Molecular Formula | C20H18N4O5 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 394.12772 |
| Heavy Atoms | 29 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 94547-82-7 |
|---|---|
| SMILES | CC1=C(C2=C(N1C)C=CC(=C2)[N+](=O)[O-])C3(C(=O)C4=C(N3C)C=CC(=C4)[N+](=O)[O-])C |
| InChIKey | REZVMGQBDQCMSF-UHFFFAOYSA-N |
Product Overview
1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one (CAS 94547-82-7), with molecular formula C20H18N4O5 and molecular weight 394.13 g/mol. IUPAC: 2-(1,2-dimethyl-5-nitroindol-3-yl)-1,2-dimethyl-5-nitroindol-3-one.
Chemical Property Profile of 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one
Property Insights of 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one
The XLogP value of 3.6 indicates that 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one. Following Lipinski's Rule of Five, 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one has 0 hydrogen bond donor(s) and 6 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 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one?
The CAS number of 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one is 94547-82-7.
What is the molecular formula of 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one?
The molecular formula of 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one is C20H18N4O5.
What is the molecular weight of 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one?
The molecular weight of 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one is 394.13 g/mol.
Where can I buy 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one?
You can request a quote for 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1',2,2'-Tetramethyl-5,5'-dinitro-1,2-dihydro-1'H,3H-[2,3'-biindol]-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.