Einecs 229-040-9
TL;DR: Einecs 229-040-9 (CAS 6407-75-6) is a chemical compound with molecular formula C16H12Cl2N4O and molecular weight 346.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dichlorophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: PIGMENT YELLOW 10, 4-[(e)-(2,6-dichlorophenyl)diazenyl]-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one, 4-[(2,6-dichlorophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one, 3H-Pyrazol-3-one, 4-((2,5-dichlorophenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-, 3H-Pyrazol-3-one, 4-(2-(2,5-dichlorophenyl)diazenyl)-2,4-dihydro-5-methyl-2-phenyl-
| Molecular Formula | C16H12Cl2N4O |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.03882 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 6407-75-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3 |
| InChIKey | MOHMEIOHYAMZTP-UHFFFAOYSA-N |
Product Overview
Einecs 229-040-9 (CAS 6407-75-6), with molecular formula C16H12Cl2N4O and molecular weight 346.04 g/mol. IUPAC: 4-[(2,6-dichlorophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of Einecs 229-040-9
Property Insights of Einecs 229-040-9
The XLogP value of 4.6 indicates that Einecs 229-040-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, Einecs 229-040-9 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 229-040-9 has 0 hydrogen bond donor(s) and 4 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 229-040-9?
The CAS number of Einecs 229-040-9 is 6407-75-6.
What is the molecular formula of Einecs 229-040-9?
The molecular formula of Einecs 229-040-9 is C16H12Cl2N4O.
What is the molecular weight of Einecs 229-040-9?
The molecular weight of Einecs 229-040-9 is 346.04 g/mol.
Where can I buy Einecs 229-040-9?
You can request a quote for Einecs 229-040-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 229-040-9?
Yes, KEHONG BIO provides custom synthesis services for Einecs 229-040-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.