4'-Methylacetophenonehelveticosol
TL;DR: 4'-Methylacetophenonehelveticosol (CAS 40528-35-6) is a chemical compound with molecular formula C38H52O9 and molecular weight 652.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[[2,4-dimethyl-2-(4-methylphenyl)-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: 4'-Methylacetophenonehelveticosol, 4-Methylacetophenonhelveticosol, 4-Methylacetophenonhelveticosol [German], 3-({2,6-dideoxy-3,4-o-[1-(4-methylphenyl)ethylidene]hexopyranosyl}oxy)-5,14,19-trihydroxycard-20(22)-enolide, Card-20(22)-enolide, 3-((2,6-dideoxy-3,4-O-((1-(p-methylphenyl)ethylidene)bis(oxy))-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-, (3-beta,5-beta)-
| Molecular Formula | C38H52O9 |
|---|---|
| Molecular Weight | 652.36 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 652.36115 |
| Heavy Atoms | 47 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 40528-35-6 |
|---|---|
| SMILES | CC1C2C(CC(O1)OC3CCC4(C5CCC6(C(CCC6(C5CCC4(C3)O)O)C7=CC(=O)OC7)C)CO)OC(O2)(C)C8=CC=C(C=C8)C |
| InChIKey | DKYPYYYHMCCNOL-UHFFFAOYSA-N |
Product Overview
4'-Methylacetophenonehelveticosol (CAS 40528-35-6), with molecular formula C38H52O9 and molecular weight 652.36 g/mol. IUPAC: 3-[3-[[2,4-dimethyl-2-(4-methylphenyl)-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 4'-Methylacetophenonehelveticosol
Property Insights of 4'-Methylacetophenonehelveticosol
The XLogP value of 3.2 indicates that 4'-Methylacetophenonehelveticosol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Methylacetophenonehelveticosol. Following Lipinski's Rule of Five, 4'-Methylacetophenonehelveticosol 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 4'-Methylacetophenonehelveticosol?
The CAS number of 4'-Methylacetophenonehelveticosol is 40528-35-6.
What is the molecular formula of 4'-Methylacetophenonehelveticosol?
The molecular formula of 4'-Methylacetophenonehelveticosol is C38H52O9.
What is the molecular weight of 4'-Methylacetophenonehelveticosol?
The molecular weight of 4'-Methylacetophenonehelveticosol is 652.36 g/mol.
Where can I buy 4'-Methylacetophenonehelveticosol?
You can request a quote for 4'-Methylacetophenonehelveticosol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methylacetophenonehelveticosol?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methylacetophenonehelveticosol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.