EINECS 279-082-7
TL;DR: EINECS 279-082-7 (CAS 79135-82-3) is a chemical compound with molecular formula C33H37N3O5S and molecular weight 587.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-3-nitro-N-phenyl-4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]anilino]benzenesulfonamide
Also Known As: EINECS 279-082-7, N-Methyl-3-nitro-N-phenyl-4-((4-(4-(1,1,3,3-tetramethylbutyl)phenoxy)phenyl)amino)benzenesulphonamide, Benzenesulfonamide,N-methyl-3-nitro-N-phenyl-4-[[4-[4-(1,1,3,3-tetramethylbutyl)phenoxy]phenyl]amino]-, N-methyl-3-nitro-N-phenyl-4-[[4-[4- phenoxy]phenyl]amino]benzenesulphonamide, N-methyl-3-nitro-N-phenyl-4-({4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl}amino)benzene-1-sulfonamide
| Molecular Formula | C33H37N3O5S |
|---|---|
| Molecular Weight | 587.25 g/mol |
| LogP | 8.6696 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 587.2454 |
| Heavy Atoms | 42 |
| Complexity | 1645.1829 |
Chemical Identifiers
| CAS Number | 79135-82-3 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
EINECS 279-082-7 (CAS 79135-82-3), with molecular formula C33H37N3O5S and molecular weight 587.25 g/mol. IUPAC: N-methyl-3-nitro-N-phenyl-4-[4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]anilino]benzenesulfonamide.
Chemical Property Profile of EINECS 279-082-7
Property Insights of EINECS 279-082-7
The XLogP value of 8.6696 indicates that EINECS 279-082-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 279-082-7. Following Lipinski's Rule of Five, EINECS 279-082-7 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 279-082-7?
The CAS number of EINECS 279-082-7 is 79135-82-3.
What is the molecular formula of EINECS 279-082-7?
The molecular formula of EINECS 279-082-7 is C33H37N3O5S.
What is the molecular weight of EINECS 279-082-7?
The molecular weight of EINECS 279-082-7 is 587.25 g/mol.
Where can I buy EINECS 279-082-7?
You can request a quote for EINECS 279-082-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-082-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-082-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.