AB00721784-01
TL;DR: AB00721784-01 (CAS 378196-94-2) is a chemical compound with molecular formula C16H10FN3OS2 and molecular weight 343.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
Also Known As: AB00721784-01, 1-(4-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethanone, AF-399/15539256, 1-(4-fluorophenyl)-2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}ethan-1-one, F1174-2120
| Molecular Formula | C16H10FN3OS2 |
|---|---|
| Molecular Weight | 343.02 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.02493 |
| Heavy Atoms | 23 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 378196-94-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=NN=C3SCC(=O)C4=CC=C(C=C4)F)S2 |
| InChIKey | SYDXXKGZMNUACT-UHFFFAOYSA-N |
Product Overview
AB00721784-01 (CAS 378196-94-2), with molecular formula C16H10FN3OS2 and molecular weight 343.02 g/mol. IUPAC: 1-(4-fluorophenyl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone.
Chemical Property Profile of AB00721784-01
Property Insights of AB00721784-01
The XLogP value of 5.1 indicates that AB00721784-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00721784-01. Following Lipinski's Rule of Five, AB00721784-01 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00721784-01?
The CAS number of AB00721784-01 is 378196-94-2.
What is the molecular formula of AB00721784-01?
The molecular formula of AB00721784-01 is C16H10FN3OS2.
What is the molecular weight of AB00721784-01?
The molecular weight of AB00721784-01 is 343.02 g/mol.
Where can I buy AB00721784-01?
You can request a quote for AB00721784-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00721784-01?
Yes, KEHONG BIO provides custom synthesis services for AB00721784-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.