EINECS 252-814-2
TL;DR: EINECS 252-814-2 (CAS 35954-29-1) is a chemical compound with molecular formula C17H15N5O6S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-hydroxy-5-methylsulfonyl-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: EINECS 252-814-2, 2,4-Dihydro-4-((2-hydroxy-5-(methylsulphonyl)-4-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-one, 2,4-DIHYDRO-4-[[2-HYDROXY-5-(METHYLSULFONYL)-4-NITROPHENYL]AZO]-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONE, 3H-Pyrazol-3-one,2,4-dihydro-4-[2-[2-hydroxy-5-(methylsulfonyl)-4-nitrophenyl]diazenyl]-5-methyl-2-phenyl-, 2,4-dihydro-4-[[2-hydroxy-5-(methylsulphonyl)-4-nitrophenyl]azo]-5-methyl-2-phenyl-3H-pyrazol-3-one
| Molecular Formula | C17H15N5O6S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 2.5789 |
| Topological Polar Surface Area | 154.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.0743 |
| Heavy Atoms | 29 |
| Complexity | 1160.3359 |
Chemical Identifiers
| CAS Number | 35954-29-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2O)[N+](=O)[O-])S(=O)(=O)C)C3=CC=CC=C3 |
Product Overview
EINECS 252-814-2 (CAS 35954-29-1), with molecular formula C17H15N5O6S and molecular weight 417.07 g/mol. IUPAC: 4-[(2-hydroxy-5-methylsulfonyl-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of EINECS 252-814-2
Property Insights of EINECS 252-814-2
The XLogP value of 2.5789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 252-814-2. The TPSA of 154.9 Ų indicates high polarity, suggesting EINECS 252-814-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 252-814-2 has 1 hydrogen bond donor(s) and 9 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 252-814-2?
The CAS number of EINECS 252-814-2 is 35954-29-1.
What is the molecular formula of EINECS 252-814-2?
The molecular formula of EINECS 252-814-2 is C17H15N5O6S.
What is the molecular weight of EINECS 252-814-2?
The molecular weight of EINECS 252-814-2 is 417.07 g/mol.
Where can I buy EINECS 252-814-2?
You can request a quote for EINECS 252-814-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 252-814-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 252-814-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.