Sesamol benzoate
TL;DR: Sesamol benzoate (CAS 20029-37-2) is a chemical compound with molecular formula C14H10O4 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl benzoate
Also Known As: Sesamol benzoate, 1,3-benzodioxol-5-yl benzoate, 1,3-Benzodioxol-5-ol, 5-benzoate, 1,3-Benzodioxol-5-ol, benzoate, 3,4-Methylenedioxyphenyl benzoate
| Molecular Formula | C14H10O4 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.0579 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 20029-37-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | QMGRLEAYWWVZRW-UHFFFAOYSA-N |
Product Overview
Sesamol benzoate (CAS 20029-37-2), with molecular formula C14H10O4 and molecular weight 242.06 g/mol. IUPAC: 1,3-benzodioxol-5-yl benzoate.
Chemical Property Profile of Sesamol benzoate
Property Insights of Sesamol benzoate
The XLogP value of 3.1 indicates that Sesamol benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Sesamol benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sesamol benzoate has 0 hydrogen bond donor(s) and 4 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 Sesamol benzoate?
The CAS number of Sesamol benzoate is 20029-37-2.
What is the molecular formula of Sesamol benzoate?
The molecular formula of Sesamol benzoate is C14H10O4.
What is the molecular weight of Sesamol benzoate?
The molecular weight of Sesamol benzoate is 242.06 g/mol.
Where can I buy Sesamol benzoate?
You can request a quote for Sesamol benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sesamol benzoate?
Yes, KEHONG BIO provides custom synthesis services for Sesamol benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.