EINECS 287-125-6
TL;DR: EINECS 287-125-6 (CAS 85409-55-8) is a chemical compound with molecular formula C23H24N4O8S and molecular weight 516.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[5-(2-acetyloxyethylsulfonyl)-2-methoxyphenyl]diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
Also Known As: EINECS 287-125-6, Ethyl 4-((5-((2-(acetoxy)ethyl)sulphonyl)-2-methoxyphenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate, ETHYL 4-[[5-[[2-(ACETOXY)ETHYL]SULFONYL]-2-METHOXYPHENYL]AZO]-4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLATE, ethyl 4-[[5-(2-acetyloxyethylsulfonyl)-2-methoxyphenyl]diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate, 4-[[5-[[2-(Acetyloxy)ethyl]sulfonyl]-2-methoxyphenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester
| Molecular Formula | C23H24N4O8S |
|---|---|
| Molecular Weight | 516.13 g/mol |
| LogP | 2.4502 |
| Topological Polar Surface Area | 153.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 516.1315 |
| Heavy Atoms | 36 |
| Complexity | 1308.6487 |
Chemical Identifiers
| CAS Number | 85409-55-8 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)CCOC(=O)C)OC)C3=CC=CC=C3 |
Product Overview
EINECS 287-125-6 (CAS 85409-55-8), with molecular formula C23H24N4O8S and molecular weight 516.13 g/mol. IUPAC: ethyl 4-[[5-(2-acetyloxyethylsulfonyl)-2-methoxyphenyl]diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate.
Chemical Property Profile of EINECS 287-125-6
Property Insights of EINECS 287-125-6
The XLogP value of 2.4502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 287-125-6. The TPSA of 153.36 Ų indicates high polarity, suggesting EINECS 287-125-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 287-125-6 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 287-125-6?
The CAS number of EINECS 287-125-6 is 85409-55-8.
What is the molecular formula of EINECS 287-125-6?
The molecular formula of EINECS 287-125-6 is C23H24N4O8S.
What is the molecular weight of EINECS 287-125-6?
The molecular weight of EINECS 287-125-6 is 516.13 g/mol.
Where can I buy EINECS 287-125-6?
You can request a quote for EINECS 287-125-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-125-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-125-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.