AB00680496-01
TL;DR: AB00680496-01 (CAS 840480-61-7) is a chemical compound with molecular formula C17H13FN4OS and molecular weight 340.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenyl)-3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: AB00680496-01, 6-(4-fluorophenyl)-3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 1-[6-(4-fluorophenyl)(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazin-3-yl)]-3-methox ybenzene
| Molecular Formula | C17H13FN4OS |
|---|---|
| Molecular Weight | 340.08 g/mol |
| LogP | 3.4509 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.0794 |
| Heavy Atoms | 24 |
| Complexity | 920.5949 |
Chemical Identifiers
| CAS Number | 840480-61-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)F |
Product Overview
AB00680496-01 (CAS 840480-61-7), with molecular formula C17H13FN4OS and molecular weight 340.08 g/mol. IUPAC: 6-(4-fluorophenyl)-3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of AB00680496-01
Property Insights of AB00680496-01
The XLogP value of 3.4509 indicates that AB00680496-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, AB00680496-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00680496-01 has 0 hydrogen bond donor(s) and 5 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 AB00680496-01?
The CAS number of AB00680496-01 is 840480-61-7.
What is the molecular formula of AB00680496-01?
The molecular formula of AB00680496-01 is C17H13FN4OS.
What is the molecular weight of AB00680496-01?
The molecular weight of AB00680496-01 is 340.08 g/mol.
Where can I buy AB00680496-01?
You can request a quote for AB00680496-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00680496-01?
Yes, KEHONG BIO provides custom synthesis services for AB00680496-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.