Ancistroealaine A
TL;DR: Ancistroealaine A (CAS 303752-18-3) 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.
(3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline
Also Known As: ancistrotanzanine B, ancistroealaine A, J1.827.114A, (3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline, (3S)-1,3-Dimethyl-5-(4,5-dimethoxy-7-methyl-1-naphthyl)-6,8-dimethoxy-3,4-dihydroisoquinoline
| Molecular Formula | C26H29NO4 |
|---|---|
| Molecular Weight | 419.21 g/mol |
| LogP | 5.60322 |
| Topological Polar Surface Area | 49.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.20966 |
| Heavy Atoms | 31 |
| Complexity | 1196.2117 |
Chemical Identifiers
| CAS Number | 303752-18-3 |
|---|---|
| SMILES | C[C@H]1CC2=C(C(=CC(=C2C(=N1)C)OC)OC)C3=C4C=C(C=C(C4=C(C=C3)OC)OC)C |
Product Overview
Ancistroealaine A (CAS 303752-18-3), with molecular formula C26H29NO4 and molecular weight 419.21 g/mol. IUPAC: (3S)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline.
Chemical Property Profile of Ancistroealaine A
Property Insights of Ancistroealaine A
The XLogP value of 5.60322 indicates that Ancistroealaine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.28 Ų, Ancistroealaine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ancistroealaine A 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 Ancistroealaine A?
The CAS number of Ancistroealaine A is 303752-18-3.
What is the molecular formula of Ancistroealaine A?
The molecular formula of Ancistroealaine A is C26H29NO4.
What is the molecular weight of Ancistroealaine A?
The molecular weight of Ancistroealaine A is 419.21 g/mol.
Where can I buy Ancistroealaine A?
You can request a quote for Ancistroealaine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ancistroealaine A?
Yes, KEHONG BIO provides custom synthesis services for Ancistroealaine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.