Ancistrocladidine
TL;DR: Ancistrocladidine (CAS 5662-78-2) is a chemical compound with molecular formula C25H27NO4 and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol
Also Known As: Ancistrocladidine, Ancistrocladidin, (-)-Ancistrocladidine, 7,3'-Linked naphthylisoquinoline alkaloid, J1.758.185F
| Molecular Formula | C25H27NO4 |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.194 |
| Heavy Atoms | 30 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 5662-78-2 |
|---|---|
| SMILES | C[C@H]1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C(C4=C(C=CC=C4OC)C=C3C)O)OC |
| InChIKey | CESMSNGGFQBVOV-AWEZNQCLSA-N |
Product Overview
Ancistrocladidine (CAS 5662-78-2), with molecular formula C25H27NO4 and molecular weight 405.19 g/mol. IUPAC: 2-[(3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol.
Chemical Property Profile of Ancistrocladidine
Property Insights of Ancistrocladidine
The XLogP value of 4.8 indicates that Ancistrocladidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ancistrocladidine. Following Lipinski's Rule of Five, Ancistrocladidine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ancistrocladidine?
The CAS number of Ancistrocladidine is 5662-78-2.
What is the molecular formula of Ancistrocladidine?
The molecular formula of Ancistrocladidine is C25H27NO4.
What is the molecular weight of Ancistrocladidine?
The molecular weight of Ancistrocladidine is 405.19 g/mol.
Where can I buy Ancistrocladidine?
You can request a quote for Ancistrocladidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ancistrocladidine?
Yes, KEHONG BIO provides custom synthesis services for Ancistrocladidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.