AN-329/40528652
TL;DR: AN-329/40528652 (CAS 363591-67-7) is a chemical compound with molecular formula C15H20N6O3S2 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(diethylsulfamoyl)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide
Also Known As: AN-329/40528652, 4-({4-[(diethylamino)sulfonyl]phenyl}hydrazono)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, (4Z)-4-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide, 4-[[4-(diethylsulfamoyl)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide, 4-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide
| Molecular Formula | C15H20N6O3S2 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 2.02242 |
| Topological Polar Surface Area | 125.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.10382 |
| Heavy Atoms | 26 |
| Complexity | 985.37933 |
Chemical Identifiers
| CAS Number | 363591-67-7 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N=NC2=C(NN(C2=O)C(=S)N)C |
Product Overview
AN-329/40528652 (CAS 363591-67-7), with molecular formula C15H20N6O3S2 and molecular weight 396.10 g/mol. IUPAC: 4-[[4-(diethylsulfamoyl)phenyl]diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide.
Chemical Property Profile of AN-329/40528652
Property Insights of AN-329/40528652
The XLogP value of 2.02242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-329/40528652. The TPSA of 125.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-329/40528652. Following Lipinski's Rule of Five, AN-329/40528652 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-329/40528652?
The CAS number of AN-329/40528652 is 363591-67-7.
What is the molecular formula of AN-329/40528652?
The molecular formula of AN-329/40528652 is C15H20N6O3S2.
What is the molecular weight of AN-329/40528652?
The molecular weight of AN-329/40528652 is 396.10 g/mol.
Where can I buy AN-329/40528652?
You can request a quote for AN-329/40528652 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-329/40528652?
Yes, KEHONG BIO provides custom synthesis services for AN-329/40528652 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.