(6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate
TL;DR: (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate (CAS 54472-56-9) is a chemical compound with molecular formula C20H22O5 and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate
Also Known As: NCIOpen2_008731, (6-propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate, KST-1A5868, 4-(4,5-dihydro-2-oxazolyl)benzamine, (6-PROPYL-2H-1,3-BENZODIOXOL-5-YL)METHYL 4-ETHOXYBENZOATE
| Molecular Formula | C20H22O5 |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.14673 |
| Heavy Atoms | 25 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 54472-56-9 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1COC(=O)C3=CC=C(C=C3)OCC)OCO2 |
| InChIKey | OLNOIZQYSYHFMM-UHFFFAOYSA-N |
Product Overview
(6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate (CAS 54472-56-9), with molecular formula C20H22O5 and molecular weight 342.15 g/mol. IUPAC: (6-propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate.
Chemical Property Profile of (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate
Property Insights of (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate
The XLogP value of 4.8 indicates that (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate?
The CAS number of (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate is 54472-56-9.
What is the molecular formula of (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate?
The molecular formula of (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate is C20H22O5.
What is the molecular weight of (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate?
The molecular weight of (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate is 342.15 g/mol.
Where can I buy (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate?
You can request a quote for (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (6-Propyl-1,3-benzodioxol-5-yl)methyl 4-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.