BAS 00689052
TL;DR: BAS 00689052 (CAS 314760-72-0) is a chemical compound with molecular formula C17H16Cl2N6O3S and molecular weight 454.04 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-[(2,6-dichloro-4-nitrophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one
Also Known As: BAS 00689052, AN-329/40484290, 4-{[(2,6-dichloro-4-nitrophenyl)amino]azamethylene}-1-[4-(tert-butyl)(1,3-thia zol-2-yl)]-3-methyl-1,2-diazolin-5-one, (4E)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2,6-dichloro-4-nitrophenyl)hydrazinylidene]-5-methylpyrazol-3-one, 2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2,6-dichloro-4-nitrophenyl)hydrazono]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C17H16Cl2N6O3S |
|---|---|
| Molecular Weight | 454.04 g/mol |
| LogP | 5.85842 |
| Topological Polar Surface Area | 118.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.03818 |
| Heavy Atoms | 29 |
| Complexity | 1165.7229 |
Chemical Identifiers
| CAS Number | 314760-72-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC(=CS2)C(C)(C)C)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl |
Product Overview
BAS 00689052 (CAS 314760-72-0), with molecular formula C17H16Cl2N6O3S and molecular weight 454.04 g/mol. IUPAC: 2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00689052
Property Insights of BAS 00689052
The XLogP value of 5.85842 indicates that BAS 00689052 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 00689052. Following Lipinski's Rule of Five, BAS 00689052 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 00689052?
The CAS number of BAS 00689052 is 314760-72-0.
What is the molecular formula of BAS 00689052?
The molecular formula of BAS 00689052 is C17H16Cl2N6O3S.
What is the molecular weight of BAS 00689052?
The molecular weight of BAS 00689052 is 454.04 g/mol.
Where can I buy BAS 00689052?
You can request a quote for BAS 00689052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00689052?
Yes, KEHONG BIO provides custom synthesis services for BAS 00689052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.