AB00667978-01
TL;DR: AB00667978-01 (CAS 391917-86-5) is a chemical compound with molecular formula C21H23FN4OS and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AB00667978-01, F0507-2113, 4-(tert-butyl)-N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide, 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide, 4-tert-butyl-N-{[4-(4-fluorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C21H23FN4OS |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 4.3558 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.15765 |
| Heavy Atoms | 28 |
| Complexity | 959.5658 |
Chemical Identifiers
| CAS Number | 391917-86-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SC |
Product Overview
AB00667978-01 (CAS 391917-86-5), with molecular formula C21H23FN4OS and molecular weight 398.16 g/mol. IUPAC: 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AB00667978-01
Property Insights of AB00667978-01
The XLogP value of 4.3558 indicates that AB00667978-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00667978-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00667978-01 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 AB00667978-01?
The CAS number of AB00667978-01 is 391917-86-5.
What is the molecular formula of AB00667978-01?
The molecular formula of AB00667978-01 is C21H23FN4OS.
What is the molecular weight of AB00667978-01?
The molecular weight of AB00667978-01 is 398.16 g/mol.
Where can I buy AB00667978-01?
You can request a quote for AB00667978-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667978-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667978-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.