BAS 00477833
TL;DR: BAS 00477833 (CAS 332420-91-4) is a chemical compound with molecular formula C25H16N6OS and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzonitrile
Also Known As: BAS 00477833, 2-{(2E)-2-[5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzonitrile, 2-({[5-oxo-3-phenyl-1-(4-phenyl(1,3-thiazol-2-yl))-1,2-diazolin-4-ylidene]azam ethyl}amino)benzenecarbonitrile, 2-[(2Z)-2-[5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-4-ylidene]hydrazinyl]benzonitrile, 2-[2-[1,5-Dihydro-5-oxo-3-phenyl-1-(4-phenyl-2-thiazolyl)-4H-pyrazol-4-ylidene]hydrazinyl]benzonitrile
| Molecular Formula | C25H16N6OS |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 6.24318 |
| Topological Polar Surface Area | 99.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.11063 |
| Heavy Atoms | 33 |
| Complexity | 1541.3301 |
Chemical Identifiers
| CAS Number | 332420-91-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C4=CC=CC=C4)N=NC5=CC=CC=C5C#N |
Product Overview
BAS 00477833 (CAS 332420-91-4), with molecular formula C25H16N6OS and molecular weight 448.11 g/mol. IUPAC: 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzonitrile.
Chemical Property Profile of BAS 00477833
Property Insights of BAS 00477833
The XLogP value of 6.24318 indicates that BAS 00477833 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00477833. Following Lipinski's Rule of Five, BAS 00477833 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00477833?
The CAS number of BAS 00477833 is 332420-91-4.
What is the molecular formula of BAS 00477833?
The molecular formula of BAS 00477833 is C25H16N6OS.
What is the molecular weight of BAS 00477833?
The molecular weight of BAS 00477833 is 448.11 g/mol.
Where can I buy BAS 00477833?
You can request a quote for BAS 00477833 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00477833?
Yes, KEHONG BIO provides custom synthesis services for BAS 00477833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.