N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
TL;DR: N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide (CAS 100073-66-3) is a chemical compound with molecular formula C13H9Br2NO3S and molecular weight 416.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
Also Known As: N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide, N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzene-1-sulfonamide, F0808-0010, n(3,5dibromo4oxocyclohexa2,5dien1ylidene)4methylbenzenesulfonamide, 2,6-dibromo-4-{[(4-methylphenyl)sulfonyl]azamethylene}cyclohexa-2,5-dien-1-one
| Molecular Formula | C13H9Br2NO3S |
|---|---|
| Molecular Weight | 416.87 g/mol |
| LogP | 3.26502 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.867 |
| Heavy Atoms | 20 |
| Complexity | 735.3109 |
Chemical Identifiers
| CAS Number | 100073-66-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C(=C2)Br)Br |
Product Overview
N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide (CAS 100073-66-3), with molecular formula C13H9Br2NO3S and molecular weight 416.87 g/mol. IUPAC: N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide.
Chemical Property Profile of N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
Property Insights of N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
The XLogP value of 3.26502 indicates that N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide 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-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide 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-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The CAS number of N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide is 100073-66-3.
What is the molecular formula of N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The molecular formula of N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide is C13H9Br2NO3S.
What is the molecular weight of N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The molecular weight of N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide is 416.87 g/mol.
Where can I buy N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
You can request a quote for N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.