维尔斯他汀
TL;DR: 维尔斯他汀 (CAS 88909-96-0) is a chemical compound with molecular formula C16H13NO4 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
维尔斯他汀
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
Also Known As: Virstatin, Isodibut, Izodibut, H-Phg-NH2 Hcl, 4-NAPHTHALIMIDOBUTYRIC ACID
| Molecular Formula | C16H13NO4 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.08447 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
| Solubility | 31.8 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 88909-96-0 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)O |
| InChIKey | ZHXRDXTYPCPBTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
维尔斯他汀 (CAS 88909-96-0), with molecular formula C16H13NO4 and molecular weight 283.08 g/mol. IUPAC: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid.
Chemical Property Profile of 维尔斯他汀
Property Insights of 维尔斯他汀
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 维尔斯他汀. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 维尔斯他汀. Following Lipinski's Rule of Five, 维尔斯他汀 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 维尔斯他汀?
The CAS number of 维尔斯他汀 is 88909-96-0.
What is the molecular formula of 维尔斯他汀?
The molecular formula of 维尔斯他汀 is C16H13NO4.
What is the molecular weight of 维尔斯他汀?
The molecular weight of 维尔斯他汀 is 283.08 g/mol.
Where can I buy 维尔斯他汀?
You can request a quote for 维尔斯他汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 维尔斯他汀?
Yes, KEHONG BIO provides custom synthesis services for 维尔斯他汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.