BAS 00691504
TL;DR: BAS 00691504 (CAS 314760-94-6) is a chemical compound with molecular formula C24H24N6O5S and molecular weight 508.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2,5-dimethoxyphenyl)diazenyl]-5-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: BAS 00691504, AN-329/40484300, (4E)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[2-(2,5-dimethoxyphenyl)hydrazinylidene]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2,5-dimethoxyphenyl)hydrazono]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2,5-dimethoxyphenyl)hydrazinylidene]-5-(4-nitrophenyl)pyrazol-3-one
| Molecular Formula | C24H24N6O5S |
|---|---|
| Molecular Weight | 508.15 g/mol |
| LogP | 5.9274 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.1529 |
| Heavy Atoms | 36 |
| Complexity | 1494.665 |
Chemical Identifiers
| CAS Number | 314760-94-6 |
|---|---|
| SMILES | CC(C)(C)C1=CSC(=N1)N2C(=O)C(=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=C(C=CC(=C4)OC)OC |
Product Overview
BAS 00691504 (CAS 314760-94-6), with molecular formula C24H24N6O5S and molecular weight 508.15 g/mol. IUPAC: 2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2,5-dimethoxyphenyl)diazenyl]-5-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00691504
Property Insights of BAS 00691504
The XLogP value of 5.9274 indicates that BAS 00691504 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00691504. Following Lipinski's Rule of Five, BAS 00691504 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00691504?
The CAS number of BAS 00691504 is 314760-94-6.
What is the molecular formula of BAS 00691504?
The molecular formula of BAS 00691504 is C24H24N6O5S.
What is the molecular weight of BAS 00691504?
The molecular weight of BAS 00691504 is 508.15 g/mol.
Where can I buy BAS 00691504?
You can request a quote for BAS 00691504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00691504?
Yes, KEHONG BIO provides custom synthesis services for BAS 00691504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.