1,3-Benzodioxol-5-ylmethyl benzoate
TL;DR: 1,3-Benzodioxol-5-ylmethyl benzoate (CAS 103427-57-2) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl benzoate
Also Known As: 1,3-benzodioxol-5-ylmethyl benzoate, (2H-1,3-Benzodioxol-5-yl)methyl benzoate, RefChem:217839
| Molecular Formula | C15H12O4 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.07355 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 103427-57-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)COC(=O)C3=CC=CC=C3 |
| InChIKey | KMQBYAFOOFDSCK-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-5-ylmethyl benzoate (CAS 103427-57-2), with molecular formula C15H12O4 and molecular weight 256.07 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl benzoate.
Chemical Property Profile of 1,3-Benzodioxol-5-ylmethyl benzoate
Property Insights of 1,3-Benzodioxol-5-ylmethyl benzoate
The XLogP value of 3.3 indicates that 1,3-Benzodioxol-5-ylmethyl 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, 1,3-Benzodioxol-5-ylmethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-ylmethyl 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 1,3-Benzodioxol-5-ylmethyl benzoate?
The CAS number of 1,3-Benzodioxol-5-ylmethyl benzoate is 103427-57-2.
What is the molecular formula of 1,3-Benzodioxol-5-ylmethyl benzoate?
The molecular formula of 1,3-Benzodioxol-5-ylmethyl benzoate is C15H12O4.
What is the molecular weight of 1,3-Benzodioxol-5-ylmethyl benzoate?
The molecular weight of 1,3-Benzodioxol-5-ylmethyl benzoate is 256.07 g/mol.
Where can I buy 1,3-Benzodioxol-5-ylmethyl benzoate?
You can request a quote for 1,3-Benzodioxol-5-ylmethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-ylmethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-ylmethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.