BAS 00345165
TL;DR: BAS 00345165 (CAS 314291-98-0) is a chemical compound with molecular formula C21H19N5OS and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dimethylphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
Also Known As: BAS 00345165, (E)-4-(2-(2,4-Dimethylphenyl)hydrazono)-3-methyl-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5(4H)-one, (4Z)-4-[(2,4-dimethylphenyl)hydrazinylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one, (4Z)-4-[2-(2,4-dimethylphenyl)hydrazinylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one, 3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazole-4,5-dione 4-[(2,4-dimethylphenyl)hydrazone]
| Molecular Formula | C21H19N5OS |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 5.62976 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.13104 |
| Heavy Atoms | 28 |
| Complexity | 1217.3293 |
Chemical Identifiers
| CAS Number | 314291-98-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C)C |
Product Overview
BAS 00345165 (CAS 314291-98-0), with molecular formula C21H19N5OS and molecular weight 389.13 g/mol. IUPAC: 4-[(2,4-dimethylphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00345165
Property Insights of BAS 00345165
The XLogP value of 5.62976 indicates that BAS 00345165 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00345165. Following Lipinski's Rule of Five, BAS 00345165 has 1 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 BAS 00345165?
The CAS number of BAS 00345165 is 314291-98-0.
What is the molecular formula of BAS 00345165?
The molecular formula of BAS 00345165 is C21H19N5OS.
What is the molecular weight of BAS 00345165?
The molecular weight of BAS 00345165 is 389.13 g/mol.
Where can I buy BAS 00345165?
You can request a quote for BAS 00345165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00345165?
Yes, KEHONG BIO provides custom synthesis services for BAS 00345165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.