Flaccidin B
TL;DR: Flaccidin B (CAS 117585-05-4) is a chemical compound with molecular formula C41H64O12 and molecular weight 748.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3S,5R)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Flaccidin B, (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3S,5R)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, 3beta-[(2-O-beta-D-Glucopyranosyl-beta-D-erythro-pentopyranosyl-3-ulose)oxy]olean-12-en-28-oic acid
| Molecular Formula | C41H64O12 |
|---|---|
| Molecular Weight | 748.44 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 748.43976 |
| Heavy Atoms | 53 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 117585-05-4 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H](C(=O)[C@@H](CO6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | OPTUUKHEYUERDZ-BNYPRUPSSA-N |
Product Overview
Flaccidin B (CAS 117585-05-4), with molecular formula C41H64O12 and molecular weight 748.44 g/mol. IUPAC: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3S,5R)-5-hydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Flaccidin B
Property Insights of Flaccidin B
The XLogP value of 4.8 indicates that Flaccidin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting Flaccidin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Flaccidin B has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Flaccidin B?
The CAS number of Flaccidin B is 117585-05-4.
What is the molecular formula of Flaccidin B?
The molecular formula of Flaccidin B is C41H64O12.
What is the molecular weight of Flaccidin B?
The molecular weight of Flaccidin B is 748.44 g/mol.
Where can I buy Flaccidin B?
You can request a quote for Flaccidin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flaccidin B?
Yes, KEHONG BIO provides custom synthesis services for Flaccidin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.