Axinastatin 3
TL;DR: Axinastatin 3 (CAS 153723-35-4) is a chemical compound with molecular formula C40H60N8O8 and molecular weight 780.4534 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3S,6R,9S,15S,18S,21S,24S)-21-benzyl-18-[(2S)-butan-2-yl]-15-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-6-propan-2-yl-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide
Also Known As: Axinastatin 3, Cyclo(pro-val-asn-pro-phe-ile-leu), Axinastatin 1, 4-L-isoleucine-5-L-leucine-, 2-[(3S,6R,9S,15S,18S,21S,24S)-21-benzyl-18-[(2S)-butan-2-yl]-15-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-6-propan-2-yl-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide, [(6S,9S,12S,14aS,20S,23R,25aS)-12-Benzyl-9-[(2S)-butan-2-yl]-8,11,14,22,25-pentahydroxy-6-(2-methylpropyl)-5,19-dioxo-23-(propan-2-yl)-2,3,5,6,9,12,14a,15,16,17,19,20,23,25a-tetradecahydro-1H-dipyrrolo[1,2-a:1',2'-j][1,4,7,10,13,16,19]heptaazacyclohenicosin-20-yl]ethanimidic acid
Technical Specifications
| Molecular Formula | C40H60N8O8 |
| Molecular Weight | 780.4534 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 229.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 780.4534 Da |
| Heavy Atoms | 56 |
| Complexity | 1470.0 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N1)CC4=CC=CC=C4)CC(=O)N)C(C)C)CC(C)C |
| InChIKey | ANLDPEXRVVIABH-WUUSPZRJSA-N |
Chemical Property Profile of Axinastatin 3
Property Insights of Axinastatin 3
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Axinastatin 3. The TPSA of 229.0 Ų indicates high polarity, suggesting Axinastatin 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Axinastatin 3 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Axinastatin 3?
The CAS number of Axinastatin 3 is 153723-35-4.
What is the molecular formula of Axinastatin 3?
The molecular formula of Axinastatin 3 is C40H60N8O8.
What is the molecular weight of Axinastatin 3?
The molecular weight of Axinastatin 3 is 780.4534 g/mol.
Where can I buy Axinastatin 3?
You can request a quote for Axinastatin 3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Axinastatin 3?
Yes, CoreyChem provides custom synthesis services for Axinastatin 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.