BAS 00669090
TL;DR: BAS 00669090 (CAS 314759-28-9) is a chemical compound with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dimethoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
Also Known As: BAS 00669090, AN-329/40258142, (4E)-4-[2-(2,5-dimethoxyphenyl)hydrazinylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one, 4-[(2,5-dimethoxyphenyl)hydrazono]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-[(2,5-dimethoxyphenyl)hydrazinylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one
| Molecular Formula | C21H19N5O3S |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 5.03012 |
| Topological Polar Surface Area | 93.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.12085 |
| Heavy Atoms | 30 |
| Complexity | 1257.39 |
Chemical Identifiers
| CAS Number | 314759-28-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=CC=C3)N=NC4=C(C=CC(=C4)OC)OC |
Product Overview
BAS 00669090 (CAS 314759-28-9), with molecular formula C21H19N5O3S and molecular weight 421.12 g/mol. IUPAC: 4-[(2,5-dimethoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00669090
Property Insights of BAS 00669090
The XLogP value of 5.03012 indicates that BAS 00669090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00669090. Following Lipinski's Rule of Five, BAS 00669090 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 00669090?
The CAS number of BAS 00669090 is 314759-28-9.
What is the molecular formula of BAS 00669090?
The molecular formula of BAS 00669090 is C21H19N5O3S.
What is the molecular weight of BAS 00669090?
The molecular weight of BAS 00669090 is 421.12 g/mol.
Where can I buy BAS 00669090?
You can request a quote for BAS 00669090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00669090?
Yes, KEHONG BIO provides custom synthesis services for BAS 00669090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.