BAS 00536722
TL;DR: BAS 00536722 (CAS 314760-88-8) is a chemical compound with molecular formula C18H17N5OS and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dimethylphenyl)diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide
Also Known As: BAS 00536722, 4-[(2,5-dimethylphenyl)hydrazono]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, AN-329/40226797, (4E)-4-[(2,5-dimethylphenyl)hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide, (4Z)-4-[2-(2,5-dimethylphenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C18H17N5OS |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 3.96734 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1154 |
| Heavy Atoms | 25 |
| Complexity | 1017.69086 |
Chemical Identifiers
| CAS Number | 314760-88-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N=NC2=C(NN(C2=O)C(=S)N)C3=CC=CC=C3 |
Product Overview
BAS 00536722 (CAS 314760-88-8), with molecular formula C18H17N5OS and molecular weight 351.12 g/mol. IUPAC: 4-[(2,5-dimethylphenyl)diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of BAS 00536722
Property Insights of BAS 00536722
The XLogP value of 3.96734 indicates that BAS 00536722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00536722. Following Lipinski's Rule of Five, BAS 00536722 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00536722?
The CAS number of BAS 00536722 is 314760-88-8.
What is the molecular formula of BAS 00536722?
The molecular formula of BAS 00536722 is C18H17N5OS.
What is the molecular weight of BAS 00536722?
The molecular weight of BAS 00536722 is 351.12 g/mol.
Where can I buy BAS 00536722?
You can request a quote for BAS 00536722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00536722?
Yes, KEHONG BIO provides custom synthesis services for BAS 00536722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.