Huangshanine
TL;DR: Huangshanine (CAS 88313-35-3) is a chemical compound with molecular formula C42H50N2O9 and molecular weight 726.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Also Known As: Huangshanine, (+)-Huangshanine, ( )-Huangshanine, 4H-Dibenzo(de,g)quinoline, 9-(2,3-dimethoxy-6-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-, (6aS)-, 4H-Dibenzo(de,g)quinoline, 9-(2,3-dimethoxy-6-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-, (S-(R*,R*))-
| Molecular Formula | C42H50N2O9 |
|---|---|
| Molecular Weight | 726.35 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 726.3516 |
| Heavy Atoms | 53 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 88313-35-3 |
|---|---|
| SMILES | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=C(C=CC(=C5OC)OC)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC |
| InChIKey | AAMOLTQKZFTOCO-KYJUHHDHSA-N |
Product Overview
Huangshanine (CAS 88313-35-3), with molecular formula C42H50N2O9 and molecular weight 726.35 g/mol. IUPAC: (6aS)-9-[6-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
Chemical Property Profile of Huangshanine
Property Insights of Huangshanine
The XLogP value of 6.6 indicates that Huangshanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Huangshanine. Following Lipinski's Rule of Five, Huangshanine has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Huangshanine?
The CAS number of Huangshanine is 88313-35-3.
What is the molecular formula of Huangshanine?
The molecular formula of Huangshanine is C42H50N2O9.
What is the molecular weight of Huangshanine?
The molecular weight of Huangshanine is 726.35 g/mol.
Where can I buy Huangshanine?
You can request a quote for Huangshanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Huangshanine?
Yes, KEHONG BIO provides custom synthesis services for Huangshanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.