EINECS 288-537-9
TL;DR: EINECS 288-537-9 (CAS 85750-12-5) is a chemical compound with molecular formula C22H23N5O8S and molecular weight 517.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methoxy-3-[3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl propanoate
Also Known As: EINECS 288-537-9, 2,4-Dihydro-2-(2-methoxy-5-((2-(propionyloxy)ethyl)sulphonyl)phenyl)-5-methyl-4-((2-nitrophenyl)azo)-3H-pyrazol-3-one, ethyl (5-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate, 2-[4-methoxy-3-[3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl propanoate, 2,4-Dihydro-2-[2-methoxy-5-[[2-(1-oxopropoxy)ethyl]sulfonyl]phenyl]-5-methyl-4-[(2-nitrophenyl)azo]-3H-pyrazol-3-one
| Molecular Formula | C22H23N5O8S |
|---|---|
| Molecular Weight | 517.13 g/mol |
| LogP | 3.2053 |
| Topological Polar Surface Area | 170.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.1267 |
| Heavy Atoms | 36 |
| Complexity | 1355.9573 |
Chemical Identifiers
| CAS Number | 85750-12-5 |
|---|---|
| SMILES | CCC(=O)OCCS(=O)(=O)C1=CC(=C(C=C1)OC)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
EINECS 288-537-9 (CAS 85750-12-5), with molecular formula C22H23N5O8S and molecular weight 517.13 g/mol. IUPAC: 2-[4-methoxy-3-[3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl propanoate.
Chemical Property Profile of EINECS 288-537-9
Property Insights of EINECS 288-537-9
The XLogP value of 3.2053 indicates that EINECS 288-537-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.2 Ų indicates high polarity, suggesting EINECS 288-537-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 288-537-9 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 288-537-9?
The CAS number of EINECS 288-537-9 is 85750-12-5.
What is the molecular formula of EINECS 288-537-9?
The molecular formula of EINECS 288-537-9 is C22H23N5O8S.
What is the molecular weight of EINECS 288-537-9?
The molecular weight of EINECS 288-537-9 is 517.13 g/mol.
Where can I buy EINECS 288-537-9?
You can request a quote for EINECS 288-537-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 288-537-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 288-537-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.