![[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate structure](/static/products/900/900099-20-9.png)
[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate
TL;DR: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate (CAS 900099-20-9) is a chemical compound with molecular formula C23H24N4O6S and molecular weight 484.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate
Also Known As: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate|benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester|4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyphenyl benzenesulfonate|4-(bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl)-2-ethoxyphenyl benzenesulfonate|[4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxy-phenyl] benzenesulfonate|benzenesulfonic acid [4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-ethoxy-phenyl] ester|SMR000136063|MLS000531080|MLS002541341|cid_2930458
| Molecular Formula | C23H24N4O6S |
|---|---|
| Molecular Weight | 484.14 g/mol |
| LogP | 2.68284 |
| Topological Polar Surface Area | 149.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 484.14166 |
| Heavy Atoms | 34 |
| Complexity | 1475.1357 |
Chemical Identifiers
| CAS Number | 900099-20-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OS(=O)(=O)C4=CC=CC=C4 |
Product Overview
[4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate (CAS 900099-20-9), with molecular formula C23H24N4O6S and molecular weight 484.14 g/mol. IUPAC: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate.
Chemical Property Profile of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate
Property Insights of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate
The XLogP value of 2.68284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate. The TPSA of 149.9 Ų indicates high polarity, suggesting [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate has 4 hydrogen bond donor(s) and 6 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 [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate?
The CAS number of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate is 900099-20-9.
What is the molecular formula of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate?
The molecular formula of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate is C23H24N4O6S.
What is the molecular weight of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate?
The molecular weight of [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate is 484.14 g/mol.
Where can I buy [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate?
You can request a quote for [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.