Agelasine B
TL;DR: Agelasine B (CAS 92664-76-1) is a chemical compound with molecular formula C26H40N5+ and molecular weight 422.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine
Also Known As: Agelasine B, Ags-B, 7-[(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine, 6-Amino-7-[(2E)-3-methyl-5-[(1S)-1alpha,2alpha,4aalpha,5-tetramethyl-1,2,3,4,4aalpha,7,8,8abeta-octahydronaphthalene-1-yl]-2-pentenyl]-9-methyl-9H-purine-7-ium, 6-Amino-9-methyl-7-[(2E)-3-methyl-5-[(1S)-1,2,3,4,4a,7,8,8abeta-octahydro-1,2alpha,4aalpha,5-tetramethylnaphthalen-1beta-yl]-2-pentenyl]-7H-purin-9-ium
| Molecular Formula | C26H40N5+ |
|---|---|
| Molecular Weight | 422.33 g/mol |
| LogP | 5.3633 |
| Topological Polar Surface Area | 60.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.32837 |
| Heavy Atoms | 31 |
| Complexity | 1031.837 |
Chemical Identifiers
| CAS Number | 92664-76-1 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/CN3C=[N+](C4=NC=NC(=C43)N)C)/C)CCC=C2C)C |
Product Overview
Agelasine B (CAS 92664-76-1), with molecular formula C26H40N5+ and molecular weight 422.33 g/mol. IUPAC: 7-[(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine.
Chemical Property Profile of Agelasine B
Property Insights of Agelasine B
The XLogP value of 5.3633 indicates that Agelasine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Agelasine B. Following Lipinski's Rule of Five, Agelasine B has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agelasine B?
The CAS number of Agelasine B is 92664-76-1.
What is the molecular formula of Agelasine B?
The molecular formula of Agelasine B is C26H40N5+.
What is the molecular weight of Agelasine B?
The molecular weight of Agelasine B is 422.33 g/mol.
Where can I buy Agelasine B?
You can request a quote for Agelasine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agelasine B?
Yes, KEHONG BIO provides custom synthesis services for Agelasine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.