4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid
TL;DR: 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid (CAS 578748-97-7) is a chemical compound with molecular formula C17H17N3O4 and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,15,15-trimethyl-6-nitro-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylic acid
Also Known As: 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid, 4,11,11-trimethyl-8-nitro-3,4-dihydro-1,4-methanophenazine-1(2H)-carboxylic acid, 4,11,11-Trimethyl-8-nitro-3,4-dihydro-2H-1,4-methano-phenazine-1-carboxylic acid, (1R,4S)-4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid, 12,15,15-trimethyl-6-nitro-3,10-diazatetracyclo[10.2.1.0<2,11>.0<4,9>]pentadec a-2(11),3,5,7,9-pentaenecarboxylic acid
| Molecular Formula | C17H17N3O4 |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 2.9517 |
| Topological Polar Surface Area | 106.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.12192 |
| Heavy Atoms | 24 |
| Complexity | 938.82275 |
Chemical Identifiers
| CAS Number | 578748-97-7 |
|---|---|
| SMILES | CC1(C2(CCC1(C3=NC4=C(C=CC(=C4)[N+](=O)[O-])N=C32)C(=O)O)C)C |
Product Overview
4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid (CAS 578748-97-7), with molecular formula C17H17N3O4 and molecular weight 327.12 g/mol. IUPAC: 12,15,15-trimethyl-6-nitro-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxylic acid.
Chemical Property Profile of 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid
Property Insights of 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid
The XLogP value of 2.9517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid. The TPSA of 106.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid. Following Lipinski's Rule of Five, 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid has 1 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 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid?
The CAS number of 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid is 578748-97-7.
What is the molecular formula of 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid?
The molecular formula of 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid is C17H17N3O4.
What is the molecular weight of 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid?
The molecular weight of 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid is 327.12 g/mol.
Where can I buy 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid?
You can request a quote for 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,11,11-trimethyl-8-nitro-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.