Tetraethoxyallene
TL;DR: Tetraethoxyallene (CAS 85149-75-3) is a chemical compound with molecular formula C21H25NO4 and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-7-ol
Also Known As: Tetraethoxyallene, 5-Methyl-11H-indolo<3,2-c>chinolin-6(5H)-on, 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((3-hydroxy-4-methoxyphenyl)methyl)-6-methoxy-2-(2-propenyl)-, (S)-, (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-7-ol, (1S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-7-ol
| Molecular Formula | C21H25NO4 |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.17834 |
| Heavy Atoms | 26 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 85149-75-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C[C@H]2C3=CC(=C(C=C3CCN2CC=C)OC)O)O |
| InChIKey | APMFIXDDZMVGLS-KRWDZBQOSA-N |
Product Overview
Tetraethoxyallene (CAS 85149-75-3), with molecular formula C21H25NO4 and molecular weight 355.18 g/mol. IUPAC: (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-7-ol.
Chemical Property Profile of Tetraethoxyallene
Property Insights of Tetraethoxyallene
The XLogP value of 3.7 indicates that Tetraethoxyallene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetraethoxyallene. Following Lipinski's Rule of Five, Tetraethoxyallene has 2 hydrogen bond donor(s) and 5 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 Tetraethoxyallene?
The CAS number of Tetraethoxyallene is 85149-75-3.
What is the molecular formula of Tetraethoxyallene?
The molecular formula of Tetraethoxyallene is C21H25NO4.
What is the molecular weight of Tetraethoxyallene?
The molecular weight of Tetraethoxyallene is 355.18 g/mol.
Where can I buy Tetraethoxyallene?
You can request a quote for Tetraethoxyallene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraethoxyallene?
Yes, KEHONG BIO provides custom synthesis services for Tetraethoxyallene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.