Agelasine G
TL;DR: Agelasine G (CAS 142808-37-5) is a chemical compound with molecular formula C31H44BrN6O2+ and molecular weight 611.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,5R,6S,8aR)-5-[(E)-5-(6-amino-9-methyl-7,8-dihydropurin-7-ium-7-yl)-3-methylpent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl 4-bromo-1H-pyrrole-2-carboxylate
Also Known As: Agelasine G, [(4aS,5R,6S,8aR)-5-[(E)-5-(6-amino-9-methyl-7,8-dihydropurin-7-ium-7-yl)-3-methylpent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl 4-bromo-1H-pyrrole-2-carboxylate, 7H-Purinium, 6-amino-7-(5-(5-((((4-bromo-1H-pyrrol-2-yl)carbonyl)oxy)methyl)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a-trimethyl-1-naphthalenyl)-3-methyl-2-pentenyl)-9-methyl-, (1R-(1alpha(E),2beta,4aalpha,8aalpha))-
| Molecular Formula | C31H44BrN6O2+ |
|---|---|
| Molecular Weight | 611.27 g/mol |
| LogP | 5.4355 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 611.27094 |
| Heavy Atoms | 40 |
| Complexity | 1320.644 |
Chemical Identifiers
| CAS Number | 142808-37-5 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2([C@H]([C@]1(C)CC/C(=C/C[NH+]3CN(C4=NC=NC(=C43)N)C)/C)CCC=C2COC(=O)C5=CC(=CN5)Br)C |
Product Overview
Agelasine G (CAS 142808-37-5), with molecular formula C31H44BrN6O2+ and molecular weight 611.27 g/mol. IUPAC: [(4aS,5R,6S,8aR)-5-[(E)-5-(6-amino-9-methyl-7,8-dihydropurin-7-ium-7-yl)-3-methylpent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl 4-bromo-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Agelasine G
Property Insights of Agelasine G
The XLogP value of 5.4355 indicates that Agelasine G is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Agelasine G. Following Lipinski's Rule of Five, Agelasine G has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agelasine G?
The CAS number of Agelasine G is 142808-37-5.
What is the molecular formula of Agelasine G?
The molecular formula of Agelasine G is C31H44BrN6O2+.
What is the molecular weight of Agelasine G?
The molecular weight of Agelasine G is 611.27 g/mol.
Where can I buy Agelasine G?
You can request a quote for Agelasine G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agelasine G?
Yes, KEHONG BIO provides custom synthesis services for Agelasine G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.