Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product
TL;DR: Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product (CAS 68411-29-0) is a chemical compound with molecular formula C19H17N3O7S and molecular weight 431.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminoanilino)-5-nitrobenzenesulfonic acid;2-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product, Benzenesulfonic acid, 2-((4-aminophenyl)amino)-5-nitro-, reaction products with 2-methyl-2,5-cyclohexadiene-1,4-dione, oxidized, Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-, reaction products with 2-methyl-2,5-cyclohexadiene-1,4-dione, oxidized, 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid; 2-methylcyclohexa-2,5-diene-1,4-dione, 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid;2-methylcyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C19H17N3O7S |
|---|---|
| Molecular Weight | 431.08 g/mol |
| LogP | 2.808 |
| Topological Polar Surface Area | 169.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.07874 |
| Heavy Atoms | 30 |
| Complexity | 1167.1143 |
Chemical Identifiers
| CAS Number | 68411-29-0 |
|---|---|
| SMILES | CC1=CC(=O)C=CC1=O.C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O |
Product Overview
Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product (CAS 68411-29-0), with molecular formula C19H17N3O7S and molecular weight 431.08 g/mol. IUPAC: 2-(4-aminoanilino)-5-nitrobenzenesulfonic acid;2-methylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product
Property Insights of Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product
The XLogP value of 2.808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product. The TPSA of 169.7 Ų indicates high polarity, suggesting Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product has 3 hydrogen bond donor(s) and 8 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 Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product?
The CAS number of Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product is 68411-29-0.
What is the molecular formula of Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product?
The molecular formula of Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product is C19H17N3O7S.
What is the molecular weight of Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product?
The molecular weight of Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product is 431.08 g/mol.
Where can I buy Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product?
You can request a quote for Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product?
Yes, KEHONG BIO provides custom synthesis services for Methyl-1,4-benzoquinone, 4'-nitro-4-aminodiphenylamine-6'-sulfonic acid oxidized reaction product and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.