Methylenebis(aspidinol)
TL;DR: Methylenebis(aspidinol) (CAS 5377-72-0) is a chemical compound with molecular formula C25H32O8 and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]butan-1-one
Also Known As: Methylenebis(aspidinol), Methylenebisaspidinol, J2.176.474D, 1-Butanone, 1,1'-(methylenebis(2,6-dihydroxy-4-methoxy-5-methyl-3,1-phenylene))bis-, 1,1 -[Methylenebis(2,6-dihydroxy-4-methoxy-5-methyl-3,1-phenylene)]bis(1-butanone)
| Molecular Formula | C25H32O8 |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 460.20972 |
| Heavy Atoms | 33 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 5377-72-0 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C(=C1O)C)OC)CC2=C(C(=C(C(=C2O)C(=O)CCC)O)C)OC)O |
| InChIKey | KSPJWSCWSGSJRH-UHFFFAOYSA-N |
Product Overview
Methylenebis(aspidinol) (CAS 5377-72-0), with molecular formula C25H32O8 and molecular weight 460.21 g/mol. IUPAC: 1-[3-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]butan-1-one.
Chemical Property Profile of Methylenebis(aspidinol)
Property Insights of Methylenebis(aspidinol)
The XLogP value of 5.2 indicates that Methylenebis(aspidinol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylenebis(aspidinol). Following Lipinski's Rule of Five, Methylenebis(aspidinol) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methylenebis(aspidinol)?
The CAS number of Methylenebis(aspidinol) is 5377-72-0.
What is the molecular formula of Methylenebis(aspidinol)?
The molecular formula of Methylenebis(aspidinol) is C25H32O8.
What is the molecular weight of Methylenebis(aspidinol)?
The molecular weight of Methylenebis(aspidinol) is 460.21 g/mol.
Where can I buy Methylenebis(aspidinol)?
You can request a quote for Methylenebis(aspidinol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylenebis(aspidinol)?
Yes, KEHONG BIO provides custom synthesis services for Methylenebis(aspidinol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.