AB00099890-01
TL;DR: AB00099890-01 (CAS 332115-60-3) is a chemical compound with molecular formula C16H14N4OS2 and molecular weight 342.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[(Z)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-2-thiophen-2-ylethenyl]benzamide
Also Known As: AB00099890-01, (Z)-4-methyl-N-(2-(thiophen-2-yl)-1-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)vinyl)benzamide, 4-methyl-N-[2-(2-thienyl)-1-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)vinyl]benzamide, 4-methyl-N-[(Z)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-2-thiophen-2-ylethenyl]benzamide
| Molecular Formula | C16H14N4OS2 |
|---|---|
| Molecular Weight | 342.06 g/mol |
| LogP | 3.76531 |
| Topological Polar Surface Area | 73.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.0609 |
| Heavy Atoms | 23 |
| Complexity | 888.8205 |
Chemical Identifiers
| CAS Number | 332115-60-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C3=NC(=S)NN3 |
Product Overview
AB00099890-01 (CAS 332115-60-3), with molecular formula C16H14N4OS2 and molecular weight 342.06 g/mol. IUPAC: 4-methyl-N-[(Z)-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-2-thiophen-2-ylethenyl]benzamide.
Chemical Property Profile of AB00099890-01
Property Insights of AB00099890-01
The XLogP value of 3.76531 indicates that AB00099890-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00099890-01. Following Lipinski's Rule of Five, AB00099890-01 has 3 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 AB00099890-01?
The CAS number of AB00099890-01 is 332115-60-3.
What is the molecular formula of AB00099890-01?
The molecular formula of AB00099890-01 is C16H14N4OS2.
What is the molecular weight of AB00099890-01?
The molecular weight of AB00099890-01 is 342.06 g/mol.
Where can I buy AB00099890-01?
You can request a quote for AB00099890-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00099890-01?
Yes, KEHONG BIO provides custom synthesis services for AB00099890-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.