Asclepin
TL;DR: Asclepin (CAS 36573-63-4) is a chemical compound with molecular formula C31H42O10 and molecular weight 574.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,22S,23R)-14-formyl-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate
Also Known As: Asclepin, Asclepiadin, 3'-O-Acetylcalotropin, Asclepin (Asclepiadin), Calotropin, 3'-O-acetyl-
| Molecular Formula | C31H42O10 |
|---|---|
| Molecular Weight | 574.28 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 574.2778 |
| Heavy Atoms | 41 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 36573-63-4 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)C=O)CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)OC(=O)C |
| InChIKey | OXKMZIABKYHLAR-SVDYBJNLSA-N |
Product Overview
Asclepin (CAS 36573-63-4), with molecular formula C31H42O10 and molecular weight 574.28 g/mol. IUPAC: [(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,22S,23R)-14-formyl-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate.
Chemical Property Profile of Asclepin
Property Insights of Asclepin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asclepin. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Asclepin. Following Lipinski's Rule of Five, Asclepin has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asclepin?
The CAS number of Asclepin is 36573-63-4.
What is the molecular formula of Asclepin?
The molecular formula of Asclepin is C31H42O10.
What is the molecular weight of Asclepin?
The molecular weight of Asclepin is 574.28 g/mol.
Where can I buy Asclepin?
You can request a quote for Asclepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asclepin?
Yes, KEHONG BIO provides custom synthesis services for Asclepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.