Ichangin
TL;DR: Ichangin (CAS 10171-61-6) is a chemical compound with molecular formula C26H32O9 and molecular weight 488.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4'S,5R,6R,7R,10S,11S,14S)-11-(furan-3-yl)-4'-hydroxy-5-(2-hydroxypropan-2-yl)-2,10-dimethylspiro[12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecane-6,5'-oxane]-2',3,13-trione
Also Known As: Ichangin, (1R,2R,4'S,5R,6R,7R,10S,11S,14S)-11-(furan-3-yl)-4'-hydroxy-5-(2-hydroxypropan-2-yl)-2,10-dimethylspiro[12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecane-6,5'-oxane]-2',3,13-trione, (1'R,2'R,3R,4S,5'R,7'R,10'S,11'S,14'S)-11'-(furan-3-yl)-4-hydroxy-5'-(2-hydroxypropan-2-yl)-2',10'-dimethyl-12',15'-dioxaspiro[oxane-3,6'-tetracyclo[8.5.0.01,14.02,7]pentadecane]-3',6,13'-trione, (1S,7R,7aS)-1-[(1R)-2-carboxy-1-methyl-ethyl]-5-[[(1S,4S)-2,2-dimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]methyl]-7-hydroxy-1,7a-dimethyl-6,7-dihydro-2H-indene-4-carboxylic acid, (3S,3'R,3aS,4'S,5aR,7R,9aR,9bR,10aS)-3-(Furan-3-yl)-4'-hydroxy-7-(2-hydroxypropan-2-yl)-3a,9a-dimethylhexahydro-3H-spiro[naphtho[2,1-c]oxireno[d]pyran-6,3'-oxane]-1,6',9(3aH,10aH)-trione
| Molecular Formula | C26H32O9 |
|---|---|
| Molecular Weight | 488.20 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 488.20462 |
| Heavy Atoms | 35 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 10171-61-6 |
|---|---|
| SMILES | C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C[C@H]([C@@]36COC(=O)C[C@@H]6O)C(C)(C)O)C |
| InChIKey | GNNAZOFNKOMONV-MSGMIQHVSA-N |
Product Overview
Ichangin (CAS 10171-61-6), with molecular formula C26H32O9 and molecular weight 488.20 g/mol. IUPAC: (1R,2R,4'S,5R,6R,7R,10S,11S,14S)-11-(furan-3-yl)-4'-hydroxy-5-(2-hydroxypropan-2-yl)-2,10-dimethylspiro[12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecane-6,5'-oxane]-2',3,13-trione.
Chemical Property Profile of Ichangin
Property Insights of Ichangin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ichangin. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ichangin. Following Lipinski's Rule of Five, Ichangin has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ichangin?
The CAS number of Ichangin is 10171-61-6.
What is the molecular formula of Ichangin?
The molecular formula of Ichangin is C26H32O9.
What is the molecular weight of Ichangin?
The molecular weight of Ichangin is 488.20 g/mol.
Where can I buy Ichangin?
You can request a quote for Ichangin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ichangin?
Yes, KEHONG BIO provides custom synthesis services for Ichangin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.