Guattegaumerine
TL;DR: Guattegaumerine (CAS 22344-70-3) is a chemical compound with molecular formula C36H40N2O6 and molecular weight 596.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Also Known As: Guattegaumerine, Dauriciline, Guatteguamerine, 7,7'-Demethyldauricine, N,N'-Dimethyllindoldhamine
| Molecular Formula | C36H40N2O6 |
|---|---|
| Molecular Weight | 596.29 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 596.28864 |
| Heavy Atoms | 44 |
| Complexity | 902.0 |
Chemical Identifiers
| CAS Number | 22344-70-3 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC |
| InChIKey | FDABVSXGAMFQQH-LOYHVIPDSA-N |
Product Overview
Guattegaumerine (CAS 22344-70-3), with molecular formula C36H40N2O6 and molecular weight 596.29 g/mol. IUPAC: (1R)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
Chemical Property Profile of Guattegaumerine
Property Insights of Guattegaumerine
The XLogP value of 6.0 indicates that Guattegaumerine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Guattegaumerine. Following Lipinski's Rule of Five, Guattegaumerine has 3 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 Guattegaumerine?
The CAS number of Guattegaumerine is 22344-70-3.
What is the molecular formula of Guattegaumerine?
The molecular formula of Guattegaumerine is C36H40N2O6.
What is the molecular weight of Guattegaumerine?
The molecular weight of Guattegaumerine is 596.29 g/mol.
Where can I buy Guattegaumerine?
You can request a quote for Guattegaumerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guattegaumerine?
Yes, KEHONG BIO provides custom synthesis services for Guattegaumerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.