![3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid structure](/static/products/6766/676615-75-1.webp)
3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid
TL;DR: 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid (CAS 676615-75-1) is a chemical compound with molecular formula C50H63N5O6S and molecular weight 861.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-hydroxy-4-[[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]naphthalene-2-carbonyl]amino]-4-(octadecylamino)benzoic acid
Also Known As: 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid, 3-[[(4Z)-4-[[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]hydrazinylidene]-1-oxonaphthalene-2-carbonyl]amino]-4-(octadecylamino)benzoic acid, 3-[[4-[[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]hydrazinylidene]-1-oxonaphthalene-2-carbonyl]amino]-4-(octadecylamino)benzoic acid, Benzoic acid, 3-[[[1-hydroxy-4-[2-[2-methyl-4-[[(4-methylphenyl)sulfonyl]amino]phenyl]diazenyl]-2-naphthalenyl]carbonyl]amino]-4-(octadecylamino)-
| Molecular Formula | C50H63N5O6S |
|---|---|
| Molecular Weight | 861.45 g/mol |
| LogP | 14.00234 |
| Topological Polar Surface Area | 169.55 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 26 |
| Exact Mass | 861.4499 |
| Heavy Atoms | 62 |
| Complexity | 2398.058 |
Chemical Identifiers
| CAS Number | 676615-75-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C3=CC=CC=C3C(=C2)N=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)C)C)O |
Product Overview
3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid (CAS 676615-75-1), with molecular formula C50H63N5O6S and molecular weight 861.45 g/mol. IUPAC: 3-[[1-hydroxy-4-[[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]naphthalene-2-carbonyl]amino]-4-(octadecylamino)benzoic acid.
Chemical Property Profile of 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid
Property Insights of 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid
The XLogP value of 14.00234 indicates that 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.55 Ų indicates high polarity, suggesting 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid?
The CAS number of 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid is 676615-75-1.
What is the molecular formula of 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid?
The molecular formula of 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid is C50H63N5O6S.
What is the molecular weight of 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid?
The molecular weight of 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid is 861.45 g/mol.
Where can I buy 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid?
You can request a quote for 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[({1-hydroxy-4-[(E)-(2-methyl-4-{[(4-methylphenyl)sulfonyl]amino}phenyl)diazenyl]naphthalen-2-yl}carbonyl)amino]-4-(octadecylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.