Agelasimine A
TL;DR: Agelasimine A (CAS 114216-85-2) is a chemical compound with molecular formula C27H43N5O and molecular weight 453.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,7R,8S,8aR)-4,4,7,8-tetramethyl-8-[(E)-3-methyl-5-(3-methyl-6-methyliminopurin-7-yl)pent-3-enyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol
Also Known As: Agelasimine A, (+)-Agelasimine A, (+)-agelisamine A, (4aS,7R,8S,8aR)-4,4,7,8-tetramethyl-8-[(E)-3-methyl-5-(3-methyl-6-methyliminopurin-7-yl)pent-3-enyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol, 4a(2H)-Naphthalenol, 1-(5-(3,6-dihydro-3-methyl-6-(methylimino)-7H-purin-7-yl)-3-methyl-3-pentenyl)octahydro-1,2,5,5-tetramethyl-, (1alpha(3E),2beta,4abeta)-(+)-
| Molecular Formula | C27H43N5O |
|---|---|
| Molecular Weight | 453.35 g/mol |
| LogP | 5.0204 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.34677 |
| Heavy Atoms | 33 |
| Complexity | 1109.3999 |
Chemical Identifiers
| CAS Number | 114216-85-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/CN3C=NC4=C3C(=NC)N=CN4C)/C)CCCC2(C)C)O |
Product Overview
Agelasimine A (CAS 114216-85-2), with molecular formula C27H43N5O and molecular weight 453.35 g/mol. IUPAC: (4aS,7R,8S,8aR)-4,4,7,8-tetramethyl-8-[(E)-3-methyl-5-(3-methyl-6-methyliminopurin-7-yl)pent-3-enyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol.
Chemical Property Profile of Agelasimine A
Property Insights of Agelasimine A
The XLogP value of 5.0204 indicates that Agelasimine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Agelasimine A. Following Lipinski's Rule of Five, Agelasimine A has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agelasimine A?
The CAS number of Agelasimine A is 114216-85-2.
What is the molecular formula of Agelasimine A?
The molecular formula of Agelasimine A is C27H43N5O.
What is the molecular weight of Agelasimine A?
The molecular weight of Agelasimine A is 453.35 g/mol.
Where can I buy Agelasimine A?
You can request a quote for Agelasimine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agelasimine A?
Yes, KEHONG BIO provides custom synthesis services for Agelasimine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.