AB01310528-01
TL;DR: AB01310528-01 (CAS 929835-10-9) is a chemical compound with molecular formula C21H18N4O4S and molecular weight 422.1049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: AB01310528-01, 3-[({[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid, 3-(2-((5-(benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 3-[[2-[(5-benzofuran-2-yl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic Acid, 3-(2-{[5-(1-BENZOFURAN-2-YL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)BENZOIC ACID
Technical Specifications
| Molecular Formula | C21H18N4O4S |
| Molecular Weight | 422.1049 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.1049 Da |
| Heavy Atoms | 30 |
| Complexity | 624.0 |
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)C3=CC4=CC=CC=C4O3 |
| InChIKey | HDSXMAYHVHTGCY-UHFFFAOYSA-N |
Chemical Property Profile of AB01310528-01
Property Insights of AB01310528-01
The XLogP value of 3.1 indicates that AB01310528-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01310528-01. Following Lipinski's Rule of Five, AB01310528-01 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB01310528-01?
The CAS number of AB01310528-01 is 929835-10-9.
What is the molecular formula of AB01310528-01?
The molecular formula of AB01310528-01 is C21H18N4O4S.
What is the molecular weight of AB01310528-01?
The molecular weight of AB01310528-01 is 422.1049 g/mol.
Where can I buy AB01310528-01?
You can request a quote for AB01310528-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB01310528-01?
Yes, CoreyChem provides custom synthesis services for AB01310528-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.