Phakellistatin 1
TL;DR: Phakellistatin 1 (CAS 147395-10-6) is a chemical compound with molecular formula C45H61N7O8 and molecular weight 827.4582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,6S,12S,15S,21S,24S)-21-benzyl-3,24-bis[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-1,4,10,13,19,22,25-heptazatetracyclo[25.3.0.06,10.015,19]triacontane-2,5,11,14,20,23,26-heptone
Also Known As: Phakellistatin 1, Cyclo(pro-ile-pro-ile-phe-pro-tyr), Cyclo(prolyl-isoleucyl-prolyl-isoleucyl-phenylalanyl-prolyl-tyrosyl), Cycloamanide B, 3-L-isoleucine-5-L-proline-6-L-tyrosine-, (3S,6S,12S,15S,21S,24S)-21-benzyl-3,24-bis[(2S)-butan-2-yl]-12-[(4-hydroxyphenyl)methyl]-1,4,10,13,19,22,25-heptazatetracyclo[25.3.0.06,10.015,19]triacontane-2,5,11,14,20,23,26-heptone
Technical Specifications
| Molecular Formula | C45H61N7O8 |
| Molecular Weight | 827.4582 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 198.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 827.4582 Da |
| Heavy Atoms | 60 |
| Complexity | 1560.0 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N4CCCC4C(=O)N1)[C@@H](C)CC)CC5=CC=C(C=C5)O)CC6=CC=CC=C6 |
| InChIKey | QKAAFOFCOXIVQV-GWHVZCMOSA-N |
Chemical Property Profile of Phakellistatin 1
Property Insights of Phakellistatin 1
The XLogP value of 4.6 indicates that Phakellistatin 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting Phakellistatin 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phakellistatin 1 has 5 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 Phakellistatin 1?
The CAS number of Phakellistatin 1 is 147395-10-6.
What is the molecular formula of Phakellistatin 1?
The molecular formula of Phakellistatin 1 is C45H61N7O8.
What is the molecular weight of Phakellistatin 1?
The molecular weight of Phakellistatin 1 is 827.4582 g/mol.
Where can I buy Phakellistatin 1?
You can request a quote for Phakellistatin 1 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phakellistatin 1?
Yes, CoreyChem provides custom synthesis services for Phakellistatin 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.