BAS 00691456
TL;DR: BAS 00691456 (CAS 314759-71-2) is a chemical compound with molecular formula C23H19N7O3S and molecular weight 473.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzonitrile
Also Known As: BAS 00691456, AN-329/40484272, 2-[(2Z)-2-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzonitrile, 2-[2-(1-(4-tert-butyl-1,3-thiazol-2-yl)-3-{4-nitrophenyl}-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzonitrile, 2-{2-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}benzonitrile
| Molecular Formula | C23H19N7O3S |
|---|---|
| Molecular Weight | 473.13 g/mol |
| LogP | 5.78188 |
| Topological Polar Surface Area | 142.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.127 |
| Heavy Atoms | 34 |
| Complexity | 1499.0343 |
Chemical Identifiers
| CAS Number | 314759-71-2 |
|---|---|
| SMILES | CC(C)(C)C1=CSC(=N1)N2C(=O)C(=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=CC=CC=C4C#N |
Product Overview
BAS 00691456 (CAS 314759-71-2), with molecular formula C23H19N7O3S and molecular weight 473.13 g/mol. IUPAC: 2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzonitrile.
Chemical Property Profile of BAS 00691456
Property Insights of BAS 00691456
The XLogP value of 5.78188 indicates that BAS 00691456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.33 Ų indicates high polarity, suggesting BAS 00691456 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00691456 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00691456?
The CAS number of BAS 00691456 is 314759-71-2.
What is the molecular formula of BAS 00691456?
The molecular formula of BAS 00691456 is C23H19N7O3S.
What is the molecular weight of BAS 00691456?
The molecular weight of BAS 00691456 is 473.13 g/mol.
Where can I buy BAS 00691456?
You can request a quote for BAS 00691456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00691456?
Yes, KEHONG BIO provides custom synthesis services for BAS 00691456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.