EINECS 288-535-8
TL;DR: EINECS 288-535-8 (CAS 85750-10-3) 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-[(4-methyl-2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl acetate
Also Known As: EINECS 288-535-8, ethyl (5-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate, 2-(5-((2-(Acetoxy)ethyl)sulphonyl)-2-methoxyphenyl)-2,4-dihydro-5-methyl-4-((4-methyl-2-nitrophenyl)azo)-3H-pyrazol-3-one, 2-[4-methoxy-3-[3-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl acetate, 2-(4-methoxy-3-{3-methyl-4-[2-(4-methyl-2-nitrophenyl)diazen-1-yl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzenesulfonyl)ethyl acetate
| Molecular Formula | C22H23N5O8S |
|---|---|
| Molecular Weight | 517.13 g/mol |
| LogP | 3.12362 |
| Topological Polar Surface Area | 170.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 517.1267 |
| Heavy Atoms | 36 |
| Complexity | 1386.8025 |
Chemical Identifiers
| CAS Number | 85750-10-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C3=C(C=CC(=C3)S(=O)(=O)CCOC(=O)C)OC)C)[N+](=O)[O-] |
Product Overview
EINECS 288-535-8 (CAS 85750-10-3), with molecular formula C22H23N5O8S and molecular weight 517.13 g/mol. IUPAC: 2-[4-methoxy-3-[3-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]sulfonylethyl acetate.
Chemical Property Profile of EINECS 288-535-8
Property Insights of EINECS 288-535-8
The XLogP value of 3.12362 indicates that EINECS 288-535-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.2 Ų indicates high polarity, suggesting EINECS 288-535-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 288-535-8 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 288-535-8?
The CAS number of EINECS 288-535-8 is 85750-10-3.
What is the molecular formula of EINECS 288-535-8?
The molecular formula of EINECS 288-535-8 is C22H23N5O8S.
What is the molecular weight of EINECS 288-535-8?
The molecular weight of EINECS 288-535-8 is 517.13 g/mol.
Where can I buy EINECS 288-535-8?
You can request a quote for EINECS 288-535-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 288-535-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 288-535-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.