Ancistrocladisine
TL;DR: Ancistrocladisine (CAS 41787-65-9) is a chemical compound with molecular formula C26H29NO4 and molecular weight 419.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline
Also Known As: Ancistrocladisine, (3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline, RefChem:112566
| Molecular Formula | C26H29NO4 |
|---|---|
| Molecular Weight | 419.21 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.20966 |
| Heavy Atoms | 31 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 41787-65-9 |
|---|---|
| SMILES | C[C@@H]1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC)OC |
| InChIKey | RYNWWOJXABDOHD-OAHLLOKOSA-N |
Product Overview
Ancistrocladisine (CAS 41787-65-9), with molecular formula C26H29NO4 and molecular weight 419.21 g/mol. IUPAC: (3R)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline.
Chemical Property Profile of Ancistrocladisine
Property Insights of Ancistrocladisine
The XLogP value of 5.2 indicates that Ancistrocladisine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, Ancistrocladisine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ancistrocladisine has 0 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 Ancistrocladisine?
The CAS number of Ancistrocladisine is 41787-65-9.
What is the molecular formula of Ancistrocladisine?
The molecular formula of Ancistrocladisine is C26H29NO4.
What is the molecular weight of Ancistrocladisine?
The molecular weight of Ancistrocladisine is 419.21 g/mol.
Where can I buy Ancistrocladisine?
You can request a quote for Ancistrocladisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ancistrocladisine?
Yes, KEHONG BIO provides custom synthesis services for Ancistrocladisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.