BAS 00691436
TL;DR: BAS 00691436 (CAS 314759-64-3) is a chemical compound with molecular formula C22H19ClN6O3S and molecular weight 482.09 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-[(4-chlorophenyl)diazenyl]-5-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: BAS 00691436, AN-329/40484270, (4Z)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(4-chlorophenyl)hydrazinylidene]-5-(4-nitrophenyl)pyrazol-3-one, (4Z)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[2-(4-chlorophenyl)hydrazinylidene]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(4-chlorophenyl)hydrazono]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C22H19ClN6O3S |
|---|---|
| Molecular Weight | 482.09 g/mol |
| LogP | 6.5636 |
| Topological Polar Surface Area | 118.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.09277 |
| Heavy Atoms | 33 |
| Complexity | 1395.9016 |
Chemical Identifiers
| CAS Number | 314759-64-3 |
|---|---|
| SMILES | CC(C)(C)C1=CSC(=N1)N2C(=O)C(=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=CC=C(C=C4)Cl |
Product Overview
BAS 00691436 (CAS 314759-64-3), with molecular formula C22H19ClN6O3S and molecular weight 482.09 g/mol. IUPAC: 2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(4-chlorophenyl)diazenyl]-5-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00691436
Property Insights of BAS 00691436
The XLogP value of 6.5636 indicates that BAS 00691436 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 00691436. Following Lipinski's Rule of Five, BAS 00691436 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 00691436?
The CAS number of BAS 00691436 is 314759-64-3.
What is the molecular formula of BAS 00691436?
The molecular formula of BAS 00691436 is C22H19ClN6O3S.
What is the molecular weight of BAS 00691436?
The molecular weight of BAS 00691436 is 482.09 g/mol.
Where can I buy BAS 00691436?
You can request a quote for BAS 00691436 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00691436?
Yes, KEHONG BIO provides custom synthesis services for BAS 00691436 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.