Aplyronine A
TL;DR: Aplyronine A (CAS 151923-84-1) is a chemical compound with molecular formula C59H101N3O14 and molecular weight 1075.7284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3Z,5Z,8R,9S,10R,11R,14S,15Z,18R,20R,21Z,24S)-24-[(E,2S,3S,4S,7R,8S,9R,10R)-9-acetyloxy-7-[(2S)-2-(dimethylamino)propanoyl]oxy-12-[formyl(methyl)amino]-3-hydroxy-4,8,10-trimethyldodec-11-en-2-yl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] (2S)-2-(dimethylamino)-3-methoxypropanoate
Also Known As: Aplyronine A, [(3Z,5Z,8R,9S,10R,11R,14S,15Z,18R,20R,21Z,24S)-24-[(E,2S,3S,4S,7R,8S,9R,10R)-9-acetyloxy-7-[(2S)-2-(dimethylamino)propanoyl]oxy-12-[formyl(methyl)amino]-3-hydroxy-4,8,10-trimethyldodec-11-en-2-yl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-oxacyclotetracosa-3,5,15,21-tetraen-8-yl] (2S)-2-(dimethylamino)-3-methoxypropanoate, Serine, N,N,O-trimethyl-, (3E,5E,8R,9S,10R,11R,14S,15E,18R,20R,21E,24S)-24-((1S,2S,3S,6R,7S,8R,9R,10E)-8-(acetyloxy)-6-((2S)-2-(dimethylamino)-1-oxopropoxy)-11-(formylmethylamino)-2-hydroxy-1,3,7,9-tetramethyl-10-undecenyl)-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxooxacyclotetracosa-3,5,15,21-tetraen-8-yl ester, NSC 687160
Technical Specifications
| Molecular Formula | C59H101N3O14 |
| Molecular Weight | 1075.7284 g/mol |
| XLogP | 9.1 |
| Topological Polar Surface Area (TPSA) | 200.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 25 |
| Exact Mass | 1075.7284 Da |
| Heavy Atoms | 76 |
| Complexity | 1870.0 |
| SMILES | C[C@@H]1CC[C@@H](/C(=C\C[C@H](C[C@H](/C=C\C[C@H](OC(=O)/C=C\C=C/C[C@H]([C@H]([C@@H]1O)C)OC(=O)[C@H](COC)N(C)C)[C@@H](C)[C@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@H](C)N(C)C)O)OC)C)/C)OC |
| InChIKey | JMXMEKJLQWJRHY-ZIXBDLFHSA-N |
Chemical Property Profile of Aplyronine A
Property Insights of Aplyronine A
The XLogP value of 9.1 indicates that Aplyronine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 200.0 Ų indicates high polarity, suggesting Aplyronine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aplyronine A has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Aplyronine A?
The CAS number of Aplyronine A is 151923-84-1.
What is the molecular formula of Aplyronine A?
The molecular formula of Aplyronine A is C59H101N3O14.
What is the molecular weight of Aplyronine A?
The molecular weight of Aplyronine A is 1075.7284 g/mol.
Where can I buy Aplyronine A?
You can request a quote for Aplyronine A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aplyronine A?
Yes, CoreyChem provides custom synthesis services for Aplyronine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.