AB00726227-01
TL;DR: AB00726227-01 (CAS 5559-46-6) is a chemical compound with molecular formula C23H21N5OS and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: AB00726227-01, 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide, 2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
| Molecular Formula | C23H21N5OS |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 4.42762 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.14667 |
| Heavy Atoms | 30 |
| Complexity | 1128.8158 |
Chemical Identifiers
| CAS Number | 5559-46-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
AB00726227-01 (CAS 5559-46-6), with molecular formula C23H21N5OS and molecular weight 415.15 g/mol. IUPAC: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of AB00726227-01
Property Insights of AB00726227-01
The XLogP value of 4.42762 indicates that AB00726227-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00726227-01. Following Lipinski's Rule of Five, AB00726227-01 has 1 hydrogen bond donor(s) and 5 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 AB00726227-01?
The CAS number of AB00726227-01 is 5559-46-6.
What is the molecular formula of AB00726227-01?
The molecular formula of AB00726227-01 is C23H21N5OS.
What is the molecular weight of AB00726227-01?
The molecular weight of AB00726227-01 is 415.15 g/mol.
Where can I buy AB00726227-01?
You can request a quote for AB00726227-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00726227-01?
Yes, KEHONG BIO provides custom synthesis services for AB00726227-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.