EINECS 287-131-9
TL;DR: EINECS 287-131-9 (CAS 85409-61-6) is a chemical compound with molecular formula C13H16N2O5S and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]-5-methyl-4H-pyrazol-3-one
Also Known As: EINECS 287-131-9, 2,4-Dihydro-2-(5-((2-hydroxyethyl)sulphonyl)-2-methoxyphenyl)-5-methyl-3H-pyrazol-3-one, 2,4-dihydro-2-[5-[(2-hydroxyethyl)sulphonyl]-2-methoxyphenyl]-5-methyl-3h-pyrazol-3-one, 2-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]-5-methyl-4H-pyrazol-3-one, 1-(5-((2-Hydroxyethyl)sulfonyl)-2-methoxyphenyl)-3-methyl-1H-pyrazol-5(4H)-one
| Molecular Formula | C13H16N2O5S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 0.5738 |
| Topological Polar Surface Area | 96.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.078 |
| Heavy Atoms | 21 |
| Complexity | 696.5132 |
Chemical Identifiers
| CAS Number | 85409-61-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)CCO)OC |
Product Overview
EINECS 287-131-9 (CAS 85409-61-6), with molecular formula C13H16N2O5S and molecular weight 312.08 g/mol. IUPAC: 2-[5-(2-hydroxyethylsulfonyl)-2-methoxyphenyl]-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of EINECS 287-131-9
Property Insights of EINECS 287-131-9
The XLogP value of 0.5738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 287-131-9. The TPSA of 96.27 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 287-131-9. Following Lipinski's Rule of Five, EINECS 287-131-9 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 287-131-9?
The CAS number of EINECS 287-131-9 is 85409-61-6.
What is the molecular formula of EINECS 287-131-9?
The molecular formula of EINECS 287-131-9 is C13H16N2O5S.
What is the molecular weight of EINECS 287-131-9?
The molecular weight of EINECS 287-131-9 is 312.08 g/mol.
Where can I buy EINECS 287-131-9?
You can request a quote for EINECS 287-131-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-131-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-131-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.