阿利司他
TL;DR: 阿利司他 (CAS 51411-04-2) is a chemical compound with molecular formula C14H9NO4 and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿利司他
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid
Also Known As: alrestatin, Alrestatine, Alrestatinum, Alrestatina, Alrestatino
| Molecular Formula | C14H9NO4 |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.05316 |
| Heavy Atoms | 19 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 51411-04-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O |
| InChIKey | GCUCIFQCGJIRNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿利司他 (CAS 51411-04-2), with molecular formula C14H9NO4 and molecular weight 255.05 g/mol. IUPAC: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid.
Chemical Property Profile of 阿利司他
Property Insights of 阿利司他
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿利司他. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿利司他. Following Lipinski's Rule of Five, 阿利司他 has 1 hydrogen bond donor(s) and 4 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 阿利司他?
The CAS number of 阿利司他 is 51411-04-2.
What is the molecular formula of 阿利司他?
The molecular formula of 阿利司他 is C14H9NO4.
What is the molecular weight of 阿利司他?
The molecular weight of 阿利司他 is 255.05 g/mol.
Where can I buy 阿利司他?
You can request a quote for 阿利司他 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿利司他?
Yes, KEHONG BIO provides custom synthesis services for 阿利司他 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.