Lapaquistat Acetate
TL;DR: Lapaquistat Acetate (CAS 189059-71-0) is a chemical compound with molecular formula C33H41ClN2O9 and molecular weight 644.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid
Also Known As: Lapaquistat acetate, Lapaquistat, Lapaquistat acetate [USAN], Lapaquistat acetate (USAN), Lapaquistat acetate [USAN:JAN]
| Molecular Formula | C33H41ClN2O9 |
|---|---|
| Molecular Weight | 644.25 g/mol |
| LogP | 4.8711 |
| Topological Polar Surface Area | 131.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 644.25006 |
| Heavy Atoms | 45 |
| Complexity | 1420.8826 |
Chemical Identifiers
| CAS Number | 189059-71-0 |
|---|---|
| SMILES | CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC |
Product Overview
Lapaquistat Acetate (CAS 189059-71-0), with molecular formula C33H41ClN2O9 and molecular weight 644.25 g/mol. IUPAC: 2-[1-[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid.
Chemical Property Profile of Lapaquistat Acetate
Property Insights of Lapaquistat Acetate
The XLogP value of 4.8711 indicates that Lapaquistat Acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Lapaquistat Acetate. Following Lipinski's Rule of Five, Lapaquistat Acetate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lapaquistat Acetate?
The CAS number of Lapaquistat Acetate is 189059-71-0.
What is the molecular formula of Lapaquistat Acetate?
The molecular formula of Lapaquistat Acetate is C33H41ClN2O9.
What is the molecular weight of Lapaquistat Acetate?
The molecular weight of Lapaquistat Acetate is 644.25 g/mol.
Where can I buy Lapaquistat Acetate?
You can request a quote for Lapaquistat Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lapaquistat Acetate?
Yes, KEHONG BIO provides custom synthesis services for Lapaquistat Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.