BAS 00536674
TL;DR: BAS 00536674 (CAS 26178-97-2) is a chemical compound with molecular formula C13H15N5OS and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: BAS 00536674, (4E)-4-[(2,5-dimethylphenyl)hydrazinylidene]-3-methyl-5-oxop, (4Z)-4-[2-(2,5-dimethylphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, 4-[(2,5-dimethylphenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4E)-4-[(2,5-dimethylphenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide
| Molecular Formula | C13H15N5OS |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 2.60876 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.09973 |
| Heavy Atoms | 20 |
| Complexity | 756.60736 |
Chemical Identifiers
| CAS Number | 26178-97-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N=NC2=C(NN(C2=O)C(=S)N)C |
Product Overview
BAS 00536674 (CAS 26178-97-2), with molecular formula C13H15N5OS and molecular weight 289.10 g/mol. IUPAC: 4-[(2,5-dimethylphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of BAS 00536674
Property Insights of BAS 00536674
The XLogP value of 2.60876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00536674. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00536674. Following Lipinski's Rule of Five, BAS 00536674 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 00536674?
The CAS number of BAS 00536674 is 26178-97-2.
What is the molecular formula of BAS 00536674?
The molecular formula of BAS 00536674 is C13H15N5OS.
What is the molecular weight of BAS 00536674?
The molecular weight of BAS 00536674 is 289.10 g/mol.
Where can I buy BAS 00536674?
You can request a quote for BAS 00536674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00536674?
Yes, KEHONG BIO provides custom synthesis services for BAS 00536674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.