Agelasidine D
TL;DR: Agelasidine D (CAS 139680-61-8) is a chemical compound with molecular formula C23H41N3O3S and molecular weight 439.28687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine
Also Known As: Agelasidine D, (1R-(1alpha(2E,6E),6beta))-(2-((3-(Hydroxymethyl)-7-methyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)guanidine, (2-((3-(Hydroxymethyl)-7-methyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)guanidine (1R-(1alpha(2E,6E),6beta))-, 2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine, 2-(2-((2Z,6E)-3-(hydroxymethyl)-7-methyl-9-((1R,6S)-1,2,6-trimethylcyclohex-2-en-1-yl)nona-2,6-dienyl)sulfonylethyl)guanidine
Technical Specifications
| Molecular Formula | C23H41N3O3S |
| Molecular Weight | 439.28687 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 439.28687 Da |
| Heavy Atoms | 30 |
| Complexity | 772.0 |
| SMILES | C[C@@H]1CCC=C([C@]1(C)CC/C(=C/CC/C(=C\CS(=O)(=O)CCN=C(N)N)/CO)/C)C |
| InChIKey | ZWSGURSNDHDWDQ-MMYYNYMCSA-N |
Chemical Property Profile of Agelasidine D
Property Insights of Agelasidine D
The XLogP value of 3.3 indicates that Agelasidine D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Agelasidine D. Following Lipinski's Rule of Five, Agelasidine D has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Agelasidine D?
The CAS number of Agelasidine D is 139680-61-8.
What is the molecular formula of Agelasidine D?
The molecular formula of Agelasidine D is C23H41N3O3S.
What is the molecular weight of Agelasidine D?
The molecular weight of Agelasidine D is 439.28687 g/mol.
Where can I buy Agelasidine D?
You can request a quote for Agelasidine D directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Agelasidine D?
Yes, CoreyChem provides custom synthesis services for Agelasidine D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.