EINECS 221-101-8
TL;DR: EINECS 221-101-8 (CAS 3003-38-1) is a chemical compound with molecular formula C24H20N4O3 and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
Also Known As: EINECS 221-101-8, Benzyl 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoate, Phenylmethyl 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]benzoate, benzyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate, Benzyl 4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoate
| Molecular Formula | C24H20N4O3 |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 4.9186 |
| Topological Polar Surface Area | 83.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.15353 |
| Heavy Atoms | 31 |
| Complexity | 1126.5056 |
Chemical Identifiers
| CAS Number | 3003-38-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
EINECS 221-101-8 (CAS 3003-38-1), with molecular formula C24H20N4O3 and molecular weight 412.15 g/mol. IUPAC: benzyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate.
Chemical Property Profile of EINECS 221-101-8
Property Insights of EINECS 221-101-8
The XLogP value of 4.9186 indicates that EINECS 221-101-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.69 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 221-101-8. Following Lipinski's Rule of Five, EINECS 221-101-8 has 0 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 221-101-8?
The CAS number of EINECS 221-101-8 is 3003-38-1.
What is the molecular formula of EINECS 221-101-8?
The molecular formula of EINECS 221-101-8 is C24H20N4O3.
What is the molecular weight of EINECS 221-101-8?
The molecular weight of EINECS 221-101-8 is 412.15 g/mol.
Where can I buy EINECS 221-101-8?
You can request a quote for EINECS 221-101-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 221-101-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 221-101-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.