Ancistrocline
TL;DR: Ancistrocline (CAS 82189-88-6) 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.
5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-6-ol
Also Known As: Ancistrocline, Hemoglobin shuangfeng, 6-Isoquinolinol, 5-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,2,3,4-tetrahydro-8-methoxy-1,2,3-trimethyl-, stereoisomer, 5-(4,5-Dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol, 5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-6-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 | 82189-88-6 |
|---|---|
| SMILES | CC1CC2=C(C(=CC(=C2C(N1C)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC |
| InChIKey | DJKKAJMAHBJDCM-UHFFFAOYSA-N |
Product Overview
Ancistrocline (CAS 82189-88-6), with molecular formula C26H31NO4 and molecular weight 421.23 g/mol. IUPAC: 5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-6-ol.
Chemical Property Profile of Ancistrocline
Property Insights of Ancistrocline
The XLogP value of 5.4 indicates that Ancistrocline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Ancistrocline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ancistrocline 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 Ancistrocline?
The CAS number of Ancistrocline is 82189-88-6.
What is the molecular formula of Ancistrocline?
The molecular formula of Ancistrocline is C26H31NO4.
What is the molecular weight of Ancistrocline?
The molecular weight of Ancistrocline is 421.23 g/mol.
Where can I buy Ancistrocline?
You can request a quote for Ancistrocline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ancistrocline?
Yes, KEHONG BIO provides custom synthesis services for Ancistrocline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.