AB01290646-01
TL;DR: AB01290646-01 (CAS 879456-16-3) is a chemical compound with molecular formula C23H24FN7OS and molecular weight 465.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butan-2-ylphenyl)acetamide
Also Known As: AB01290646-01, 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(butan-2-yl)phenyl]acetamide, 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide, 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butan-2-ylphenyl)acetamide, 2-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-[4-(m ethylpropyl)phenyl]acetamide
| Molecular Formula | C23H24FN7OS |
|---|---|
| Molecular Weight | 465.17 g/mol |
| LogP | 4.4324 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.1747 |
| Heavy Atoms | 33 |
| Complexity | 1234.6957 |
Chemical Identifiers
| CAS Number | 879456-16-3 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)F |
Product Overview
AB01290646-01 (CAS 879456-16-3), with molecular formula C23H24FN7OS and molecular weight 465.17 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butan-2-ylphenyl)acetamide.
Chemical Property Profile of AB01290646-01
Property Insights of AB01290646-01
The XLogP value of 4.4324 indicates that AB01290646-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01290646-01. Following Lipinski's Rule of Five, AB01290646-01 has 3 hydrogen bond donor(s) and 6 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 AB01290646-01?
The CAS number of AB01290646-01 is 879456-16-3.
What is the molecular formula of AB01290646-01?
The molecular formula of AB01290646-01 is C23H24FN7OS.
What is the molecular weight of AB01290646-01?
The molecular weight of AB01290646-01 is 465.17 g/mol.
Where can I buy AB01290646-01?
You can request a quote for AB01290646-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01290646-01?
Yes, KEHONG BIO provides custom synthesis services for AB01290646-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.