Ancistrotectorine
TL;DR: Ancistrotectorine (CAS 98985-59-2) is a chemical compound with molecular formula C26H31NO4 and molecular weight 421.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol
Also Known As: Ancistrotectorine, 2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methyl-naphthalen-1-ol, 2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol, 2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol, 2-((1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-methoxy-3-methyl-naphthalen-1-ol
| Molecular Formula | C26H31NO4 |
|---|---|
| Molecular Weight | 421.23 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.2253 |
| Heavy Atoms | 31 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 98985-59-2 |
|---|---|
| SMILES | C[C@H]1CC2=CC(=C(C(=C2[C@H](N1C)C)OC)C3=C(C4=C(C=CC=C4OC)C=C3C)O)OC |
| InChIKey | BHQAJMGEYYHIGV-JKSUJKDBSA-N |
Product Overview
Ancistrotectorine (CAS 98985-59-2), with molecular formula C26H31NO4 and molecular weight 421.23 g/mol. IUPAC: 2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol.
Chemical Property Profile of Ancistrotectorine
Property Insights of Ancistrotectorine
The XLogP value of 5.4 indicates that Ancistrotectorine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Ancistrotectorine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ancistrotectorine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ancistrotectorine?
The CAS number of Ancistrotectorine is 98985-59-2.
What is the molecular formula of Ancistrotectorine?
The molecular formula of Ancistrotectorine is C26H31NO4.
What is the molecular weight of Ancistrotectorine?
The molecular weight of Ancistrotectorine is 421.23 g/mol.
Where can I buy Ancistrotectorine?
You can request a quote for Ancistrotectorine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ancistrotectorine?
Yes, KEHONG BIO provides custom synthesis services for Ancistrotectorine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.