EINECS 279-454-9
TL;DR: EINECS 279-454-9 (CAS 80396-84-5) is a chemical compound with molecular formula C54H65N5O9S2 and molecular weight 991.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[1-[2-(4-hexadecoxyphenyl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]ethylsulfonyl]phenyl]-4-methoxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonamide
Also Known As: EINECS 279-454-9, 3-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-N-(4-((1-(2-(4-(hexadecyloxy)phenyl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl)sulphonyl)phenyl)-4-methoxybenzenesulphonamide, N-[4-[1-[2-(4-hexadecoxyphenyl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]ethylsulfonyl]phenyl]-4-methoxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonamide, 3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-N-[4-[[1-[2-[4-(HEXADECYLOXY)PHENYL]-4-METHYL-3,6-DIOXOCYCLOHEXA-1,4-DIEN-1-YL]ETHYL]SULFONYL]PHENYL]-4-METHOXYBENZENESULFONAMIDE, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N-[4-[[1-[2-[4-(hexadecyloxy)phenyl]-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]ethyl]sulphonyl]phenyl]-4-methoxybenzenesulphonamide
| Molecular Formula | C54H65N5O9S2 |
|---|---|
| Molecular Weight | 991.42 g/mol |
| LogP | 11.9452 |
| Topological Polar Surface Area | 190.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 27 |
| Exact Mass | 991.42236 |
| Heavy Atoms | 70 |
| Complexity | 2823.6833 |
Chemical Identifiers
| CAS Number | 80396-84-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=O)C=C(C2=O)C)C(C)S(=O)(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)OC)N=NC5C(=NN(C5=O)C6=CC=CC=C6)C |
Product Overview
EINECS 279-454-9 (CAS 80396-84-5), with molecular formula C54H65N5O9S2 and molecular weight 991.42 g/mol. IUPAC: N-[4-[1-[2-(4-hexadecoxyphenyl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]ethylsulfonyl]phenyl]-4-methoxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonamide.
Chemical Property Profile of EINECS 279-454-9
Property Insights of EINECS 279-454-9
The XLogP value of 11.9452 indicates that EINECS 279-454-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.3 Ų indicates high polarity, suggesting EINECS 279-454-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 279-454-9 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 279-454-9?
The CAS number of EINECS 279-454-9 is 80396-84-5.
What is the molecular formula of EINECS 279-454-9?
The molecular formula of EINECS 279-454-9 is C54H65N5O9S2.
What is the molecular weight of EINECS 279-454-9?
The molecular weight of EINECS 279-454-9 is 991.42 g/mol.
Where can I buy EINECS 279-454-9?
You can request a quote for EINECS 279-454-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-454-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-454-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.