Pectenotoxin 4
TL;DR: Pectenotoxin 4 (CAS 97560-26-4) is a chemical compound with molecular formula C47H70O15 and molecular weight 874.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5R,7R,8E,10E,12R,14S,19R,20S,27S,28S,29R,32R,33R,35R)-14-[(2S,3R,4R)-2,3-dihydroxy-4-methyloxan-2-yl]-28-hydroxy-35-(hydroxymethyl)-5,7,9,19,29-pentamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-18,31-dione
Also Known As: Pectenotoxin 4, Pectenotoxin 1, (2R,5R,7R,8E,10E,12R,14S,19R,20S,27S,28S,29R,32R,33R,35R)-14-[(2S,3R,4R)-2,3-dihydroxy-4-methyloxan-2-yl]-28-hydroxy-35-(hydroxymethyl)-5,7,9,19,29-pentamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-18,31-dione, (2R,5R,7R,8E,10E,12R,14S,19R,20S,27S,28S,29R,32R,33R,35R)-14-[(2S,3R,4R)-2,3-Dihydroxy-4-methyloxan-2-yl]-28-hydroxy-35-(hydroxymethyl)-5,7,9,19,29-pentamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1~1,35~.1~2,5~.1~20,24~.1~24,27~.1~29,32~.0~12,16~]tritetraconta-8,10-diene-18,31-dione
| Molecular Formula | C47H70O15 |
|---|---|
| Molecular Weight | 874.47 g/mol |
| LogP | 4.2264 |
| Topological Polar Surface Area | 198.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 2 |
| Exact Mass | 874.4715 |
| Heavy Atoms | 62 |
| Complexity | 1772.9373 |
Chemical Identifiers
| CAS Number | 97560-26-4 |
|---|---|
| SMILES | C[C@@H]1CCO[C@@]([C@@H]1O)([C@@H]2CC3[C@H](O2)/C=C/C(=C/[C@@H](C[C@]4(CC[C@@H](O4)C56CC[C@@](O5)(C[C@@H](O6)[C@@H]7C(=O)C[C@@](O7)([C@H]([C@@H]8CCC9(O8)CCC[C@H](O9)[C@H](C(=O)O3)C)O)C)CO)C)C)/C)O |
Product Overview
Pectenotoxin 4 (CAS 97560-26-4), with molecular formula C47H70O15 and molecular weight 874.47 g/mol. IUPAC: (2R,5R,7R,8E,10E,12R,14S,19R,20S,27S,28S,29R,32R,33R,35R)-14-[(2S,3R,4R)-2,3-dihydroxy-4-methyloxan-2-yl]-28-hydroxy-35-(hydroxymethyl)-5,7,9,19,29-pentamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-18,31-dione.
Chemical Property Profile of Pectenotoxin 4
Property Insights of Pectenotoxin 4
The XLogP value of 4.2264 indicates that Pectenotoxin 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.13 Ų indicates high polarity, suggesting Pectenotoxin 4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pectenotoxin 4 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pectenotoxin 4?
The CAS number of Pectenotoxin 4 is 97560-26-4.
What is the molecular formula of Pectenotoxin 4?
The molecular formula of Pectenotoxin 4 is C47H70O15.
What is the molecular weight of Pectenotoxin 4?
The molecular weight of Pectenotoxin 4 is 874.47 g/mol.
Where can I buy Pectenotoxin 4?
You can request a quote for Pectenotoxin 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pectenotoxin 4?
Yes, KEHONG BIO provides custom synthesis services for Pectenotoxin 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.