AB00674674-01
TL;DR: AB00674674-01 (CAS 848727-74-2) is a chemical compound with molecular formula C21H13F3N4OS and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-yl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: AB00674674-01, F1576-0037, 6-(2-methyl-5-(3-(trifluoromethyl)phenyl)furan-3-yl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-{2-METHYL-5-[3-(TRIFLUOROMETHYL)PHENYL]FURAN-3-YL}-3-PHENYL-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 6-[2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-yl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C21H13F3N4OS |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 6.10702 |
| Topological Polar Surface Area | 56.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.0762 |
| Heavy Atoms | 30 |
| Complexity | 1351.8649 |
Chemical Identifiers
| CAS Number | 848727-74-2 |
|---|---|
| SMILES | CC1=C(C=C(O1)C2=CC(=CC=C2)C(F)(F)F)C3=NN4C(=NN=C4S3)C5=CC=CC=C5 |
Product Overview
AB00674674-01 (CAS 848727-74-2), with molecular formula C21H13F3N4OS and molecular weight 426.08 g/mol. IUPAC: 6-[2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-yl]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of AB00674674-01
Property Insights of AB00674674-01
The XLogP value of 6.10702 indicates that AB00674674-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.22 Ų, AB00674674-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00674674-01 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00674674-01?
The CAS number of AB00674674-01 is 848727-74-2.
What is the molecular formula of AB00674674-01?
The molecular formula of AB00674674-01 is C21H13F3N4OS.
What is the molecular weight of AB00674674-01?
The molecular weight of AB00674674-01 is 426.08 g/mol.
Where can I buy AB00674674-01?
You can request a quote for AB00674674-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00674674-01?
Yes, KEHONG BIO provides custom synthesis services for AB00674674-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.