![1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester structure](/static/products/6003/60033-54-7.webp)
1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester
TL;DR: 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester (CAS 60033-54-7) is a chemical compound with molecular formula C48H54N4O9S and molecular weight 862.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[4-[[3-[(5-dodecanoyl-2-methylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]diazenyl]phenyl]sulfonyl-ethylamino]benzene-1,3-dicarboxylate
Also Known As: 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester, 1,3-Benzenedicarboxylic acid, 5-(ethyl((4-((4-hydroxy-3-(((2-methyl-5-(1-oxododecyl)phenyl)amino)carbonyl)-1-naphthalenyl)azo)phenyl)sulfonyl)amino)-, dimethyl ester, 1,3-Benzenedicarboxylic acid, 5-(ethyl((4-(2-(4-hydroxy-3-(((2-methyl-5-(1-oxododecyl)phenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)phenyl)sulfonyl)amino)-, 1,3-dimethyl ester, 1,3-Benzenedicarboxylicacid,5-[ethyl[[4-[2-[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]diazenyl]phenyl]sulfonyl]amino]-,1,3-dimethyl ester, Dimethyl 5-(ethyl((4-((4-hydroxy-3-(((2-methyl-5-(1-oxododecyl)phenyl)amino)carbonyl)-1-naphthalenyl)azo)phenyl)sulfonyl)amino)-1,3-benzenedicarboxylate
| Molecular Formula | C48H54N4O9S |
|---|---|
| Molecular Weight | 862.36 g/mol |
| LogP | 12.0 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Exact Mass | 862.36115 |
| Heavy Atoms | 62 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 60033-54-7 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)C1=CC(=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)N=NC4=CC=C(C=C4)S(=O)(=O)N(CC)C5=CC(=CC(=C5)C(=O)OC)C(=O)OC)O |
| InChIKey | BRUWQWPJMQFIFT-UHFFFAOYSA-N |
Product Overview
1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester (CAS 60033-54-7), with molecular formula C48H54N4O9S and molecular weight 862.36 g/mol. IUPAC: dimethyl 5-[[4-[[3-[(5-dodecanoyl-2-methylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]diazenyl]phenyl]sulfonyl-ethylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester
Property Insights of 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester
The XLogP value of 12.0 indicates that 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester has 2 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 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester?
The CAS number of 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester is 60033-54-7.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester?
The molecular formula of 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester is C48H54N4O9S.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester?
The molecular weight of 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester is 862.36 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester?
You can request a quote for 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthalenyl]azo]phenyl]sulfonyl]amino]-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.