Acetophenone helveticosol
TL;DR: Acetophenone helveticosol (CAS 35811-16-6) is a chemical compound with molecular formula C37H50O9 and molecular weight 638.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5S,10R,13R,14S,17R)-3-[[(3aR,6R)-2,4-dimethyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Acetophenonhelveticosol, Acetophenonehelveticosol, Acetophenone helveticosol, acetophenone-helveticosol, Acetophenonhelveticosol [German]
| Molecular Formula | C37H50O9 |
|---|---|
| Molecular Weight | 638.35 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 638.34546 |
| Heavy Atoms | 46 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 35811-16-6 |
|---|---|
| SMILES | CC1[C@@H]2C(C[C@@H](O1)O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)CO)OC(O2)(C)C8=CC=CC=C8 |
| InChIKey | QNBADHCGFQKPKR-OMFYFAIKSA-N |
Product Overview
Acetophenone helveticosol (CAS 35811-16-6), with molecular formula C37H50O9 and molecular weight 638.35 g/mol. IUPAC: 3-[(3S,5S,10R,13R,14S,17R)-3-[[(3aR,6R)-2,4-dimethyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Acetophenone helveticosol
Property Insights of Acetophenone helveticosol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone helveticosol. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone helveticosol. Following Lipinski's Rule of Five, Acetophenone helveticosol has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetophenone helveticosol?
The CAS number of Acetophenone helveticosol is 35811-16-6.
What is the molecular formula of Acetophenone helveticosol?
The molecular formula of Acetophenone helveticosol is C37H50O9.
What is the molecular weight of Acetophenone helveticosol?
The molecular weight of Acetophenone helveticosol is 638.35 g/mol.
Where can I buy Acetophenone helveticosol?
You can request a quote for Acetophenone helveticosol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone helveticosol?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone helveticosol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.