Alpha-Antiarin
TL;DR: Alpha-Antiarin (CAS 23605-05-2) is a chemical compound with molecular formula C29H42O11 and molecular weight 566.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: alpha-Antiarin, Antiarin, .alpha.-Antiarin, Hadacidin, a-Antiarin
| Molecular Formula | C29H42O11 |
|---|---|
| Molecular Weight | 566.27 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 566.2727 |
| Heavy Atoms | 40 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 23605-05-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)O)C=O)O)O)O |
| InChIKey | MFIXZHBJWSBQJA-OZQKXHGLSA-N |
Product Overview
Alpha-Antiarin (CAS 23605-05-2), with molecular formula C29H42O11 and molecular weight 566.27 g/mol. IUPAC: (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Alpha-Antiarin
Property Insights of Alpha-Antiarin
The XLogP value of -1.8 indicates that Alpha-Antiarin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting Alpha-Antiarin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alpha-Antiarin has 6 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 Alpha-Antiarin?
The CAS number of Alpha-Antiarin is 23605-05-2.
What is the molecular formula of Alpha-Antiarin?
The molecular formula of Alpha-Antiarin is C29H42O11.
What is the molecular weight of Alpha-Antiarin?
The molecular weight of Alpha-Antiarin is 566.27 g/mol.
Where can I buy Alpha-Antiarin?
You can request a quote for Alpha-Antiarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-Antiarin?
Yes, KEHONG BIO provides custom synthesis services for Alpha-Antiarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.