EINECS 288-536-3
TL;DR: EINECS 288-536-3 (CAS 85750-11-4) is a chemical compound with molecular formula C22H23N5O9S and molecular weight 533.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-methoxy-3-[4-[(4-methoxy-2-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl acetate
Also Known As: EINECS 288-536-3, ethyl (5-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate, 2-((3-(2,4-Dihydro-4-((4-methoxy-2-nitrophenyl)azo)-5-methyl-3-oxo-3H-pyrazol-2-yl)-4-methoxyphenyl)sulphonyl)ethyl acetate, 2-[4-methoxy-3-[4-[(4-methoxy-2-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl acetate, 2-(4-methoxy-3-{4-[2-(4-methoxy-2-nitrophenyl)diazen-1-yl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonyl)ethyl acetate
| Molecular Formula | C22H23N5O9S |
|---|---|
| Molecular Weight | 533.12 g/mol |
| LogP | 2.8238 |
| Topological Polar Surface Area | 179.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 533.12164 |
| Heavy Atoms | 37 |
| Complexity | 1405.2468 |
Chemical Identifiers
| CAS Number | 85750-11-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=C(C=CC(=C3)S(=O)(=O)CCOC(=O)C)OC |
Product Overview
EINECS 288-536-3 (CAS 85750-11-4), with molecular formula C22H23N5O9S and molecular weight 533.12 g/mol. IUPAC: 2-[4-methoxy-3-[4-[(4-methoxy-2-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl acetate.
Chemical Property Profile of EINECS 288-536-3
Property Insights of EINECS 288-536-3
The XLogP value of 2.8238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 288-536-3. The TPSA of 179.43 Ų indicates high polarity, suggesting EINECS 288-536-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 288-536-3 has 0 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 EINECS 288-536-3?
The CAS number of EINECS 288-536-3 is 85750-11-4.
What is the molecular formula of EINECS 288-536-3?
The molecular formula of EINECS 288-536-3 is C22H23N5O9S.
What is the molecular weight of EINECS 288-536-3?
The molecular weight of EINECS 288-536-3 is 533.12 g/mol.
Where can I buy EINECS 288-536-3?
You can request a quote for EINECS 288-536-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 288-536-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 288-536-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.