C17H16N4O2S3
TL;DR: C17H16N4O2S3 (CAS 299952-76-4) is a chemical compound with molecular formula C17H16N4O2S3 and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
Also Known As: BAS 00534076, AF-399/10512047, (Z)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamide, 3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide, 3-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
| Molecular Formula | C17H16N4O2S3 |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 3.38494 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.04355 |
| Heavy Atoms | 26 |
| Complexity | 889.6679 |
Chemical Identifiers
| CAS Number | 299952-76-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=NN=C(S3)C |
Product Overview
C17H16N4O2S3 (CAS 299952-76-4), with molecular formula C17H16N4O2S3 and molecular weight 404.04 g/mol. IUPAC: 3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
Chemical Property Profile of C17H16N4O2S3
Property Insights of C17H16N4O2S3
The XLogP value of 3.38494 indicates that C17H16N4O2S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H16N4O2S3. Following Lipinski's Rule of Five, C17H16N4O2S3 has 1 hydrogen bond donor(s) and 7 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 C17H16N4O2S3?
The CAS number of C17H16N4O2S3 is 299952-76-4.
What is the molecular formula of C17H16N4O2S3?
The molecular formula of C17H16N4O2S3 is C17H16N4O2S3.
What is the molecular weight of C17H16N4O2S3?
The molecular weight of C17H16N4O2S3 is 404.04 g/mol.
Where can I buy C17H16N4O2S3?
You can request a quote for C17H16N4O2S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H16N4O2S3?
Yes, KEHONG BIO provides custom synthesis services for C17H16N4O2S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.