BAS 00668995
TL;DR: BAS 00668995 (CAS 314761-23-4) is a chemical compound with molecular formula C26H21N5O3S and molecular weight 483.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dimethoxyphenyl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
Also Known As: BAS 00668995, AN-329/40258067, (4Z)-4-[2-(2,5-dimethoxyphenyl)hydrazinylidene]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one, 4-[(2,5-dimethoxyphenyl)hydrazono]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[(2,5-dimethoxyphenyl)hydrazinylidene]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one
| Molecular Formula | C26H21N5O3S |
|---|---|
| Molecular Weight | 483.14 g/mol |
| LogP | 6.3887 |
| Topological Polar Surface Area | 93.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.1365 |
| Heavy Atoms | 35 |
| Complexity | 1538.5244 |
Chemical Identifiers
| CAS Number | 314761-23-4 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
BAS 00668995 (CAS 314761-23-4), with molecular formula C26H21N5O3S and molecular weight 483.14 g/mol. IUPAC: 4-[(2,5-dimethoxyphenyl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00668995
Property Insights of BAS 00668995
The XLogP value of 6.3887 indicates that BAS 00668995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00668995. Following Lipinski's Rule of Five, BAS 00668995 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00668995?
The CAS number of BAS 00668995 is 314761-23-4.
What is the molecular formula of BAS 00668995?
The molecular formula of BAS 00668995 is C26H21N5O3S.
What is the molecular weight of BAS 00668995?
The molecular weight of BAS 00668995 is 483.14 g/mol.
Where can I buy BAS 00668995?
You can request a quote for BAS 00668995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00668995?
Yes, KEHONG BIO provides custom synthesis services for BAS 00668995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.