SARS-CoV-2-IN-33
TL;DR: SARS-CoV-2-IN-33 (CAS 299919-79-2) is a chemical compound with molecular formula C30H30N4O5 and molecular weight 526.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-phenyl-1H-pyrazol-3-one
Also Known As: SARS-CoV-2-IN-33, ChemDiv1_022128, A2150/0090300, 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-phenyl-1H-pyrazol-3-one, 4,4'-[(3,4,5-trimethoxyphenyl)methanediyl]bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
| Molecular Formula | C30H30N4O5 |
|---|---|
| Molecular Weight | 526.22 g/mol |
| LogP | 4.46744 |
| Topological Polar Surface Area | 103.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.2216 |
| Heavy Atoms | 39 |
| Complexity | 1606.2421 |
Chemical Identifiers
| CAS Number | 299919-79-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)OC)OC)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C |
Product Overview
SARS-CoV-2-IN-33 (CAS 299919-79-2), with molecular formula C30H30N4O5 and molecular weight 526.22 g/mol. IUPAC: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of SARS-CoV-2-IN-33
Property Insights of SARS-CoV-2-IN-33
The XLogP value of 4.46744 indicates that SARS-CoV-2-IN-33 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.27 Ų falls within the moderate polarity range, balancing permeability and solubility for SARS-CoV-2-IN-33. Following Lipinski's Rule of Five, SARS-CoV-2-IN-33 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SARS-CoV-2-IN-33?
The CAS number of SARS-CoV-2-IN-33 is 299919-79-2.
What is the molecular formula of SARS-CoV-2-IN-33?
The molecular formula of SARS-CoV-2-IN-33 is C30H30N4O5.
What is the molecular weight of SARS-CoV-2-IN-33?
The molecular weight of SARS-CoV-2-IN-33 is 526.22 g/mol.
Where can I buy SARS-CoV-2-IN-33?
You can request a quote for SARS-CoV-2-IN-33 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SARS-CoV-2-IN-33?
Yes, KEHONG BIO provides custom synthesis services for SARS-CoV-2-IN-33 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.