ChemDiv1_002233
TL;DR: ChemDiv1_002233 (CAS 307339-21-5) is a chemical compound with molecular formula C19H14N4O3S and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-4H-pyrazol-3-one
Also Known As: ChemDiv1_002233, AN-329/12393001, 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-4H-pyrazol-3-one, 1-[4-(4-methylphenyl)(1,3-thiazol-2-yl)]-3-(4-nitrophenyl)-2-pyrazolin-5-one
| Molecular Formula | C19H14N4O3S |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 4.16772 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.07867 |
| Heavy Atoms | 27 |
| Complexity | 1055.3186 |
Chemical Identifiers
| CAS Number | 307339-21-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)CC(=N3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
ChemDiv1_002233 (CAS 307339-21-5), with molecular formula C19H14N4O3S and molecular weight 378.08 g/mol. IUPAC: 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-4H-pyrazol-3-one.
Chemical Property Profile of ChemDiv1_002233
Property Insights of ChemDiv1_002233
The XLogP value of 4.16772 indicates that ChemDiv1_002233 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002233. Following Lipinski's Rule of Five, ChemDiv1_002233 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 ChemDiv1_002233?
The CAS number of ChemDiv1_002233 is 307339-21-5.
What is the molecular formula of ChemDiv1_002233?
The molecular formula of ChemDiv1_002233 is C19H14N4O3S.
What is the molecular weight of ChemDiv1_002233?
The molecular weight of ChemDiv1_002233 is 378.08 g/mol.
Where can I buy ChemDiv1_002233?
You can request a quote for ChemDiv1_002233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002233?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.