4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide
TL;DR: 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide (CAS 28857-02-5) is a chemical compound with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
Also Known As: 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide, {2-[(1E)-2-(2-hydroxy-3-nitrophenyl)-1-azavinyl]phenyl}[(4-methylphenyl)sulfon yl]amine, N-[2-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide, 4-Methyl-N-(2-{[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)benzene-1-sulfonamide, 4-methyl-N-[2-[(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]benzenesulfonamide
| Molecular Formula | C20H17N3O5S |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 4.16022 |
| Topological Polar Surface Area | 121.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.0889 |
| Heavy Atoms | 29 |
| Complexity | 1188.9935 |
Chemical Identifiers
| CAS Number | 28857-02-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N=CC3=C(C(=CC=C3)[N+](=O)[O-])O |
Product Overview
4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide (CAS 28857-02-5), with molecular formula C20H17N3O5S and molecular weight 411.09 g/mol. IUPAC: N-[2-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide.
Chemical Property Profile of 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide
Property Insights of 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide
The XLogP value of 4.16022 indicates that 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide. Following Lipinski's Rule of Five, 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide has 2 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 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide?
The CAS number of 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide is 28857-02-5.
What is the molecular formula of 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide?
The molecular formula of 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide is C20H17N3O5S.
What is the molecular weight of 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide?
The molecular weight of 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide is 411.09 g/mol.
Where can I buy 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide?
You can request a quote for 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[2-[[(E)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.