6-Acetylpicropolin
TL;DR: 6-Acetylpicropolin (CAS 116187-56-5) is a chemical compound with molecular formula C24H28O9 and molecular weight 460.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: 6-Acetylpicropolin, Acetylpicropolin, [(2S,3R)-3,5-dimethyl-3-vinyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone, (1'R,3''S,4'aS,5''S,6'S,8'R,8'aR)-8'a-[(Acetyloxy)methyl]-5''-(furan-3-yl)-6'-methyl-2'',7'-dioxooctahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'-yl acetate, (3S,5S,5 R)-4 alpha-Acetoxy-4 aalpha-(acetoxymethyl)-5-(3-furanyl)-4,4 ,4 a,5,6 ,7 ,8 ,8 abeta-octahydro-2 alpha-methyldispiro[furan-3(2H),1 (5 H)-naphthalene-5 ,2 -oxirane]-2,3 (2 H)-dione
| Molecular Formula | C24H28O9 |
|---|---|
| Molecular Weight | 460.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.17334 |
| Heavy Atoms | 33 |
| Complexity | 885.0 |
Chemical Identifiers
| CAS Number | 116187-56-5 |
|---|---|
| SMILES | C[C@@H]1C(=O)[C@@H]([C@@]2([C@@H]([C@@]13C[C@H](OC3=O)C4=COC=C4)CCC[C@]25CO5)COC(=O)C)OC(=O)C |
| InChIKey | OATKJIMDMRXKBR-ATQQKGJMSA-N |
Product Overview
6-Acetylpicropolin (CAS 116187-56-5), with molecular formula C24H28O9 and molecular weight 460.17 g/mol.
Chemical Property Profile of 6-Acetylpicropolin
Property Insights of 6-Acetylpicropolin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Acetylpicropolin. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Acetylpicropolin. Following Lipinski's Rule of Five, 6-Acetylpicropolin has 0 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 6-Acetylpicropolin?
The CAS number of 6-Acetylpicropolin is 116187-56-5.
What is the molecular formula of 6-Acetylpicropolin?
The molecular formula of 6-Acetylpicropolin is C24H28O9.
What is the molecular weight of 6-Acetylpicropolin?
The molecular weight of 6-Acetylpicropolin is 460.17 g/mol.
Where can I buy 6-Acetylpicropolin?
You can request a quote for 6-Acetylpicropolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Acetylpicropolin?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetylpicropolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.