BAS 00691312
TL;DR: BAS 00691312 (CAS 314761-16-5) is a chemical compound with molecular formula C23H22N6O3S and molecular weight 462.15 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-methyl-6-nitrophenyl)diazenyl]-5-phenyl-1H-pyrazol-3-one
Also Known As: BAS 00691312, AN-329/40484307, (4Z)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2-methyl-6-nitrophenyl)hydrazinylidene]-5-phenylpyrazol-3-one, (4Z)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[2-(2-methyl-6-nitrophenyl)hydrazinylidene]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, 2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2-methyl-6-nitrophenyl)hydrazono]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C23H22N6O3S |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 6.21862 |
| Topological Polar Surface Area | 118.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1474 |
| Heavy Atoms | 33 |
| Complexity | 1410.2172 |
Chemical Identifiers
| CAS Number | 314761-16-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])N=NC2=C(NN(C2=O)C3=NC(=CS3)C(C)(C)C)C4=CC=CC=C4 |
Product Overview
BAS 00691312 (CAS 314761-16-5), with molecular formula C23H22N6O3S and molecular weight 462.15 g/mol. IUPAC: 2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2-methyl-6-nitrophenyl)diazenyl]-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00691312
Property Insights of BAS 00691312
The XLogP value of 6.21862 indicates that BAS 00691312 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00691312. Following Lipinski's Rule of Five, BAS 00691312 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 00691312?
The CAS number of BAS 00691312 is 314761-16-5.
What is the molecular formula of BAS 00691312?
The molecular formula of BAS 00691312 is C23H22N6O3S.
What is the molecular weight of BAS 00691312?
The molecular weight of BAS 00691312 is 462.15 g/mol.
Where can I buy BAS 00691312?
You can request a quote for BAS 00691312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00691312?
Yes, KEHONG BIO provides custom synthesis services for BAS 00691312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.