AN-329/40210059
TL;DR: AN-329/40210059 (CAS 314757-99-8) is a chemical compound with molecular formula C21H20N6O3S and molecular weight 436.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(morpholine-4-carbonyl)phenyl]diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide
Also Known As: AN-329/40210059, 4-{[2-(4-morpholinylcarbonyl)phenyl]hydrazono}-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4E)-4-[[2-(morpholine-4-carbonyl)phenyl]hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide, 4-[[2-(morpholine-4-carbonyl)phenyl]diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide, (4E)-4-{2-[2-(morpholin-4-ylcarbonyl)phenyl]hydrazinylidene}-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C21H20N6O3S |
|---|---|
| Molecular Weight | 436.13 g/mol |
| LogP | 2.8229 |
| Topological Polar Surface Area | 118.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.13177 |
| Heavy Atoms | 31 |
| Complexity | 1195.3242 |
Chemical Identifiers
| CAS Number | 314757-99-8 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC=CC=C2N=NC3=C(NN(C3=O)C(=S)N)C4=CC=CC=C4 |
Product Overview
AN-329/40210059 (CAS 314757-99-8), with molecular formula C21H20N6O3S and molecular weight 436.13 g/mol. IUPAC: 4-[[2-(morpholine-4-carbonyl)phenyl]diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of AN-329/40210059
Property Insights of AN-329/40210059
The XLogP value of 2.8229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/40210059. The TPSA of 118.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/40210059. Following Lipinski's Rule of Five, AN-329/40210059 has 2 hydrogen bond donor(s) and 6 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 AN-329/40210059?
The CAS number of AN-329/40210059 is 314757-99-8.
What is the molecular formula of AN-329/40210059?
The molecular formula of AN-329/40210059 is C21H20N6O3S.
What is the molecular weight of AN-329/40210059?
The molecular weight of AN-329/40210059 is 436.13 g/mol.
Where can I buy AN-329/40210059?
You can request a quote for AN-329/40210059 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40210059?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40210059 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.