AQ-086/42159345
TL;DR: AQ-086/42159345 (CAS 677346-00-8) is a chemical compound with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]propanoic acid
Also Known As: AQ-086/42159345, 2-[[4-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]propanoic acid, 2-{[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl]sulfanyl}propanoic acid, 2-((9-(2-phenoxyethyl)-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)propanoic acid, 2-{[9-(2-PHENOXYETHYL)-9H-[1,2,4]TRIAZOLO[4,3-A][1,3]BENZIMIDAZOL-3-YL]SULFANYL}PROPANOIC ACID
| Molecular Formula | C19H18N4O3S |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 3.3282 |
| Topological Polar Surface Area | 81.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.10995 |
| Heavy Atoms | 27 |
| Complexity | 1090.434 |
Chemical Identifiers
| CAS Number | 677346-00-8 |
|---|---|
| SMILES | CC(C(=O)O)SC1=NN=C2N1C3=CC=CC=C3N2CCOC4=CC=CC=C4 |
Product Overview
AQ-086/42159345 (CAS 677346-00-8), with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol. IUPAC: 2-[[4-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]propanoic acid.
Chemical Property Profile of AQ-086/42159345
Property Insights of AQ-086/42159345
The XLogP value of 3.3282 indicates that AQ-086/42159345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.65 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-086/42159345. Following Lipinski's Rule of Five, AQ-086/42159345 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 AQ-086/42159345?
The CAS number of AQ-086/42159345 is 677346-00-8.
What is the molecular formula of AQ-086/42159345?
The molecular formula of AQ-086/42159345 is C19H18N4O3S.
What is the molecular weight of AQ-086/42159345?
The molecular weight of AQ-086/42159345 is 382.11 g/mol.
Where can I buy AQ-086/42159345?
You can request a quote for AQ-086/42159345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-086/42159345?
Yes, KEHONG BIO provides custom synthesis services for AQ-086/42159345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.