![N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide structure](/static/products/4254/425401-64-5.webp)
N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide
TL;DR: N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide (CAS 425401-64-5) is a chemical compound with molecular formula C16H16BrNO3S and molecular weight 381.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-tert-butylbenzenesulfonamide
Also Known As: N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide, N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-tert-butylbenzenesulfonamide
| Molecular Formula | C16H16BrNO3S |
|---|---|
| Molecular Weight | 381.00 g/mol |
| LogP | 3.5315 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.00342 |
| Heavy Atoms | 22 |
| Complexity | 794.78784 |
Chemical Identifiers
| CAS Number | 425401-64-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=O)C(=C2)Br |
Product Overview
N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide (CAS 425401-64-5), with molecular formula C16H16BrNO3S and molecular weight 381.00 g/mol. IUPAC: N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-tert-butylbenzenesulfonamide.
Chemical Property Profile of N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide
Property Insights of N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide
The XLogP value of 3.5315 indicates that N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide. Following Lipinski's Rule of Five, N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide has 0 hydrogen bond donor(s) and 3 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 N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide?
The CAS number of N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide is 425401-64-5.
What is the molecular formula of N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide?
The molecular formula of N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide is C16H16BrNO3S.
What is the molecular weight of N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide?
The molecular weight of N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide is 381.00 g/mol.
Where can I buy N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide?
You can request a quote for N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1E)-3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene]-4-tert-butylbenzene-1-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.