芝麻酚
TL;DR: 芝麻酚 (CAS 533-31-3) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
芝麻酚
1,3-benzodioxol-5-ol
Also Known As: Sesamol, 1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol, 5-Hydroxy-1,3-benzodioxole, sesamol lithium
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
| Melting Point | 64.9 °C |
| Boiling Point | 272.00 to 274.00 °C. @ 760.00 mm Hg |
| Solubility | slightly |
Chemical Identifiers
| CAS Number | 533-31-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)O |
| InChIKey | LUSZGTFNYDARNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
芝麻酚 (CAS 533-31-3), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: 1,3-benzodioxol-5-ol.
Chemical Property Profile of 芝麻酚
Property Insights of 芝麻酚
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 芝麻酚. With a topological polar surface area (TPSA) of 38.7 Ų, 芝麻酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 芝麻酚 has 1 hydrogen bond donor(s) and 3 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 芝麻酚?
The CAS number of 芝麻酚 is 533-31-3.
What is the molecular formula of 芝麻酚?
The molecular formula of 芝麻酚 is C7H6O3.
What is the molecular weight of 芝麻酚?
The molecular weight of 芝麻酚 is 138.03 g/mol.
Where can I buy 芝麻酚?
You can request a quote for 芝麻酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 芝麻酚?
Yes, KEHONG BIO provides custom synthesis services for 芝麻酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.