(+)-Pinoresinol diacetate
TL;DR: (+)-Pinoresinol diacetate (CAS 83114-70-9) is a chemical compound with molecular formula C24H26O8 and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(3S,3aR,6S,6aR)-6-(4-acetyloxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenyl] acetate
Also Known As: Pinoresinol diacetate, (+)-Pinoresinol diacetate, (+)-Piresil diacetate, Pinoresinol, Di-Acetate, (+)-Pinoresinoldiacetate
| Molecular Formula | C24H26O8 |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.16278 |
| Heavy Atoms | 32 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 83114-70-9 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)OC(=O)C)OC)OC |
| InChIKey | KABPASQHFAUTDF-XZUXRINTSA-N |
Product Overview
(+)-Pinoresinol diacetate (CAS 83114-70-9), with molecular formula C24H26O8 and molecular weight 442.16 g/mol. IUPAC: [4-[(3S,3aR,6S,6aR)-6-(4-acetyloxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenyl] acetate.
Chemical Property Profile of (+)-Pinoresinol diacetate
Property Insights of (+)-Pinoresinol diacetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Pinoresinol diacetate. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Pinoresinol diacetate. Following Lipinski's Rule of Five, (+)-Pinoresinol diacetate has 0 hydrogen bond donor(s) and 8 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 (+)-Pinoresinol diacetate?
The CAS number of (+)-Pinoresinol diacetate is 83114-70-9.
What is the molecular formula of (+)-Pinoresinol diacetate?
The molecular formula of (+)-Pinoresinol diacetate is C24H26O8.
What is the molecular weight of (+)-Pinoresinol diacetate?
The molecular weight of (+)-Pinoresinol diacetate is 442.16 g/mol.
Where can I buy (+)-Pinoresinol diacetate?
You can request a quote for (+)-Pinoresinol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Pinoresinol diacetate?
Yes, KEHONG BIO provides custom synthesis services for (+)-Pinoresinol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.