EINECS 287-126-1
TL;DR: EINECS 287-126-1 (CAS 85409-56-9) is a chemical compound with molecular formula C23H27N5O9S and molecular weight 549.15 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]-5-methyl-3-oxopyrazolidin-1-yl]phenyl]sulfonylethyl propanoate
Also Known As: EINECS 287-126-1, 2,4-Dihydro-4-((4-methoxy-2-nitrophenyl)azo)-1-(2-methoxy-5-((2-(propionyloxy)ethyl)sulphonyl)phenyl)-5-methyl-3H-pyrazol-3-one, 2,4-DIHYDRO-4-[(4-METHOXY-2-NITROPHENYL)AZO]-1-[2-METHOXY-5-[[2-(PROPIONYLOXY)ETHYL]SULFONYL]PHENYL]-5-METHYL-3H-PYRAZOL-3-ONE, 2-[4-methoxy-3-[4-[(4-methoxy-2-nitrophenyl)diazenyl]-5-methyl-3-oxopyrazolidin-1-yl]phenyl]sulfonylethyl propanoate, 2,4-dihydro-4-[ azo]-1-[2-methoxy-5-[[2- ethyl]sulphonyl]phenyl]-5-methyl-3H-pyrazol-3-one
| Molecular Formula | C23H27N5O9S |
|---|---|
| Molecular Weight | 549.15 g/mol |
| LogP | 2.7311 |
| Topological Polar Surface Area | 179.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 549.15295 |
| Heavy Atoms | 38 |
| Complexity | 1363.0425 |
Chemical Identifiers
| CAS Number | 85409-56-9 |
|---|---|
| SMILES | CCC(=O)OCCS(=O)(=O)C1=CC(=C(C=C1)OC)N2C(C(C(=O)N2)N=NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C |
Product Overview
EINECS 287-126-1 (CAS 85409-56-9), with molecular formula C23H27N5O9S and molecular weight 549.15 g/mol. IUPAC: 2-[4-methoxy-3-[4-[(4-methoxy-2-nitrophenyl)diazenyl]-5-methyl-3-oxopyrazolidin-1-yl]phenyl]sulfonylethyl propanoate.
Chemical Property Profile of EINECS 287-126-1
Property Insights of EINECS 287-126-1
The XLogP value of 2.7311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 287-126-1. The TPSA of 179.1 Ų indicates high polarity, suggesting EINECS 287-126-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 287-126-1 has 1 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 287-126-1?
The CAS number of EINECS 287-126-1 is 85409-56-9.
What is the molecular formula of EINECS 287-126-1?
The molecular formula of EINECS 287-126-1 is C23H27N5O9S.
What is the molecular weight of EINECS 287-126-1?
The molecular weight of EINECS 287-126-1 is 549.15 g/mol.
Where can I buy EINECS 287-126-1?
You can request a quote for EINECS 287-126-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-126-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-126-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.