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Altoqualine structure
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Altoqualine

TL;DR: Altoqualine (CAS 121029-11-6) is a chemical compound with molecular formula C27H36N2O8 and molecular weight 516.2472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(3S)-7-amino-4,5,6-triethoxy-3-[(1R)-6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-3H-2-benzofuran-1-one

Also Known As: Altoqualine, Altocualina, Altoqualine [INN], C27-H36--N2-O8, 458L

CAS Number
121029-11-6
Molecular Formula
C27H36N2O8
Molecular Weight
516.2472 g/mol
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Technical Specifications

Molecular FormulaC27H36N2O8
Molecular Weight516.2472 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)111.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors10
Rotatable Bonds10
Exact Mass516.2472 Da
Heavy Atoms37
Complexity758.0
SMILESCCOC1=C(C(=C(C2=C1[C@H](OC2=O)[C@H]3C4=C(C(=C(C=C4CCN3C)OC)OC)OC)N)OCC)OCC
InChIKeyFPSZSEINEGCRIJ-IRLDBZIGSA-N

Chemical Property Profile of Altoqualine

XLogP
3.8
TPSA (Topological Polar Surface Area)
111.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
10
Rotatable Bonds
10
Heavy Atoms
37
Complexity
758.0
Exact Mass
516.2472
Monoisotopic Mass
516.2472
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Altoqualine

The XLogP value of 3.8 indicates that Altoqualine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Altoqualine. Following Lipinski's Rule of Five, Altoqualine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Altoqualine?

The CAS number of Altoqualine is 121029-11-6.

What is the molecular formula of Altoqualine?

The molecular formula of Altoqualine is C27H36N2O8.

What is the molecular weight of Altoqualine?

The molecular weight of Altoqualine is 516.2472 g/mol.

Where can I buy Altoqualine?

You can request a quote for Altoqualine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Altoqualine?

Yes, CoreyChem provides custom synthesis services for Altoqualine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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