Inermiside II
TL;DR: Inermiside II (CAS 133453-54-0) is a chemical compound with molecular formula C35H56O7 and molecular weight 588.4026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,6aR,6bR,8aR,10S,12aR,14bR)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Also Known As: Inermiside II, (4aS,6aR,6bR,8aR,10S,12aR,14bR)-2,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylic acid, (4aS,6bR,8aR,10S,12aR,12bR,14bR)-10-[(6-Deoxy-beta-D-glucopyranosyl)oxy]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-octadecahydropicene-4a(2H)-carboxylic acid
Technical Specifications
| Molecular Formula | C35H56O7 |
| Molecular Weight | 588.4026 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 588.4026 Da |
| Heavy Atoms | 42 |
| Complexity | 1130.0 |
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CCC5=C([C@@]4(CC[C@H]3C2(C)C)C)CC[C@@]6([C@@H]5CC(CC6)(C)C)C(=O)O)C)O)O)O |
| InChIKey | OFFCNBAVUQWPCF-FWZGKZKESA-N |
Chemical Property Profile of Inermiside II
Property Insights of Inermiside II
The XLogP value of 5.6 indicates that Inermiside II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Inermiside II. Following Lipinski's Rule of Five, Inermiside II has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Inermiside II?
The CAS number of Inermiside II is 133453-54-0.
What is the molecular formula of Inermiside II?
The molecular formula of Inermiside II is C35H56O7.
What is the molecular weight of Inermiside II?
The molecular weight of Inermiside II is 588.4026 g/mol.
Where can I buy Inermiside II?
You can request a quote for Inermiside II directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Inermiside II?
Yes, CoreyChem provides custom synthesis services for Inermiside II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.