AO-022/41322057
TL;DR: AO-022/41322057 (CAS 613225-87-9) is a chemical compound with molecular formula C21H14ClF2N5OS and molecular weight 457.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
Also Known As: AO-022/41322057, 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide, 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide, 2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-difluorophenyl)acetamide, 2-{[4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
| Molecular Formula | C21H14ClF2N5OS |
|---|---|
| Molecular Weight | 457.06 g/mol |
| LogP | 4.9917 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.05756 |
| Heavy Atoms | 31 |
| Complexity | 1218.4346 |
Chemical Identifiers
| CAS Number | 613225-87-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)F)C4=CC=NC=C4)Cl |
Product Overview
AO-022/41322057 (CAS 613225-87-9), with molecular formula C21H14ClF2N5OS and molecular weight 457.06 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide.
Chemical Property Profile of AO-022/41322057
Property Insights of AO-022/41322057
The XLogP value of 4.9917 indicates that AO-022/41322057 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 AO-022/41322057. Following Lipinski's Rule of Five, AO-022/41322057 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 AO-022/41322057?
The CAS number of AO-022/41322057 is 613225-87-9.
What is the molecular formula of AO-022/41322057?
The molecular formula of AO-022/41322057 is C21H14ClF2N5OS.
What is the molecular weight of AO-022/41322057?
The molecular weight of AO-022/41322057 is 457.06 g/mol.
Where can I buy AO-022/41322057?
You can request a quote for AO-022/41322057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41322057?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41322057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.