AB00667979-01
TL;DR: AB00667979-01 (CAS 393870-73-0) is a chemical compound with molecular formula C25H26FN7O2S2 and molecular weight 539.16 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-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AB00667979-01, F0507-2131, 4-tert-butyl-N-{[4-(4-fluorophenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, 4-(tert-butyl)-N-((4-(4-fluorophenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide, 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C25H26FN7O2S2 |
|---|---|
| Molecular Weight | 539.16 g/mol |
| LogP | 4.52462 |
| Topological Polar Surface Area | 114.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.15735 |
| Heavy Atoms | 37 |
| Complexity | 1393.9186 |
Chemical Identifiers
| CAS Number | 393870-73-0 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
AB00667979-01 (CAS 393870-73-0), with molecular formula C25H26FN7O2S2 and molecular weight 539.16 g/mol. IUPAC: 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of AB00667979-01
Property Insights of AB00667979-01
The XLogP value of 4.52462 indicates that AB00667979-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00667979-01. Following Lipinski's Rule of Five, AB00667979-01 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00667979-01?
The CAS number of AB00667979-01 is 393870-73-0.
What is the molecular formula of AB00667979-01?
The molecular formula of AB00667979-01 is C25H26FN7O2S2.
What is the molecular weight of AB00667979-01?
The molecular weight of AB00667979-01 is 539.16 g/mol.
Where can I buy AB00667979-01?
You can request a quote for AB00667979-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667979-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667979-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.