Agelasimine B
TL;DR: Agelasimine B (CAS 114216-87-4) is a chemical compound with molecular formula C27H45N5O and molecular weight 455.3624 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,7R,8S,8aR)-8-[(E)-5-(6-imino-1,3-dimethyl-2H-purin-7-yl)-3-methylpent-3-enyl]-4,4,7,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol
Also Known As: Agelasimine B, agelasimine-B, (+)-Agelasimine B, (4aS,7R,8S,8aR)-8-[(E)-5-(6-imino-1,3-dimethyl-2H-purin-7-yl)-3-methylpent-3-enyl]-4,4,7,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol, 4a(2H)-Naphthalenol, octahydro-1,2,5,5-tetramethyl-1-(3-methyl-5-(1,2,3,6-tetrahydro-6-imino-1,3-dimethyl-7H-purin-7-yl)-3-pentenyl)-, (1alpha(3E),2beta,4abeta)-(+)-
Technical Specifications
| Molecular Formula | C27H45N5O |
| Molecular Weight | 455.3624 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.3624 Da |
| Heavy Atoms | 33 |
| Complexity | 780.0 |
| SMILES | C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/CN3C=NC4=C3C(=N)N(CN4C)C)/C)CCCC2(C)C)O |
| InChIKey | UMYDEMPHXCZYBB-SCWOSNGDSA-N |
Chemical Property Profile of Agelasimine B
Property Insights of Agelasimine B
The XLogP value of 5.9 indicates that Agelasimine B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Agelasimine B. Following Lipinski's Rule of Five, Agelasimine B has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Agelasimine B?
The CAS number of Agelasimine B is 114216-87-4.
What is the molecular formula of Agelasimine B?
The molecular formula of Agelasimine B is C27H45N5O.
What is the molecular weight of Agelasimine B?
The molecular weight of Agelasimine B is 455.3624 g/mol.
Where can I buy Agelasimine B?
You can request a quote for Agelasimine B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Agelasimine B?
Yes, CoreyChem provides custom synthesis services for Agelasimine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.