柔速瑞
TL;DR: 柔速瑞 (CAS 196597-26-9) is a chemical compound with molecular formula C36H56O11 and molecular weight 664.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柔速瑞
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-9-formyl-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Pinfaensin, Glucosyl 23-formyl-2,3,19-trihydroxyurs-12-en-28-oate, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-9-formyl-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, 1-O-(2,3,19-Trihydroxy-23,28-dioxours-12-en-28-yl)hexopyranose, urs-12-en-28-oic acid, 2,3,19-trihydroxy-23-oxo-,
| Molecular Formula | C36H56O11 |
|---|---|
| Molecular Weight | 664.38 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 664.38226 |
| Heavy Atoms | 47 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 196597-26-9 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)C=O)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| InChIKey | YZANFWDKMDESHV-JVJIQXRHSA-N |
Product Overview
柔速瑞 (CAS 196597-26-9), with molecular formula C36H56O11 and molecular weight 664.38 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-9-formyl-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of 柔速瑞
Property Insights of 柔速瑞
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 柔速瑞. The TPSA of 194.0 Ų indicates high polarity, suggesting 柔速瑞 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 柔速瑞 has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 柔速瑞?
The CAS number of 柔速瑞 is 196597-26-9.
What is the molecular formula of 柔速瑞?
The molecular formula of 柔速瑞 is C36H56O11.
What is the molecular weight of 柔速瑞?
The molecular weight of 柔速瑞 is 664.38 g/mol.
Where can I buy 柔速瑞?
You can request a quote for 柔速瑞 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柔速瑞?
Yes, KEHONG BIO provides custom synthesis services for 柔速瑞 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.