AB00667975-01
TL;DR: AB00667975-01 (CAS 391897-95-3) is a chemical compound with molecular formula C18H15F3N4OS and molecular weight 392.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AB00667975-01, F0507-0177, N-((5-(methylthio)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide, N-[[5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide, N-{[5-(methylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C18H15F3N4OS |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 3.938 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.09186 |
| Heavy Atoms | 27 |
| Complexity | 941.27985 |
Chemical Identifiers
| CAS Number | 391897-95-3 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)CNC(=O)C3=CC=CC=C3 |
Product Overview
AB00667975-01 (CAS 391897-95-3), with molecular formula C18H15F3N4OS and molecular weight 392.09 g/mol. IUPAC: N-[[5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AB00667975-01
Property Insights of AB00667975-01
The XLogP value of 3.938 indicates that AB00667975-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00667975-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00667975-01 has 1 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 AB00667975-01?
The CAS number of AB00667975-01 is 391897-95-3.
What is the molecular formula of AB00667975-01?
The molecular formula of AB00667975-01 is C18H15F3N4OS.
What is the molecular weight of AB00667975-01?
The molecular weight of AB00667975-01 is 392.09 g/mol.
Where can I buy AB00667975-01?
You can request a quote for AB00667975-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667975-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667975-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.