Alangicine
TL;DR: Alangicine (CAS 16531-04-7) is a chemical compound with molecular formula C28H36N2O5 and molecular weight 480.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,11bS)-3-ethyl-2-[(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-ol
Also Known As: Alangicine, 7',10,11-trimethoxy-1',2'-didehydroemetan-6',9-diol, 1 ,2 -Didehydro-7 ,10,11-trimethoxyemetan-6 ,9-diol, (2R,3R,11bS)-3-ethyl-2-(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-ylmethyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-8-ol, 9-Hydroxy-7',10,11-trimethoxy-1',5'-didehydro-5',6'-dihydroemetan-6'-one
| Molecular Formula | C28H36N2O5 |
|---|---|
| Molecular Weight | 480.26 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.26242 |
| Heavy Atoms | 35 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 16531-04-7 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CC4=NCCC5=CC(=C(C=C54)OC)O)OC)OC)O |
| InChIKey | RVJBPTBCDSPZDC-CEXJFXJFSA-N |
Product Overview
Alangicine (CAS 16531-04-7), with molecular formula C28H36N2O5 and molecular weight 480.26 g/mol. IUPAC: (2R,3R,11bS)-3-ethyl-2-[(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-ol.
Chemical Property Profile of Alangicine
Property Insights of Alangicine
The XLogP value of 3.9 indicates that Alangicine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Alangicine. Following Lipinski's Rule of Five, Alangicine has 2 hydrogen bond donor(s) and 7 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 Alangicine?
The CAS number of Alangicine is 16531-04-7.
What is the molecular formula of Alangicine?
The molecular formula of Alangicine is C28H36N2O5.
What is the molecular weight of Alangicine?
The molecular weight of Alangicine is 480.26 g/mol.
Where can I buy Alangicine?
You can request a quote for Alangicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alangicine?
Yes, KEHONG BIO provides custom synthesis services for Alangicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.