(6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate
TL;DR: (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate (CAS 54531-01-0) is a chemical compound with molecular formula C23H36O4 and molecular weight 376.26 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 dodecanoate
Also Known As: (6-propyl-1,3-benzodioxol-5-yl)methyl dodecanoate, (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate
| Molecular Formula | C23H36O4 |
|---|---|
| Molecular Weight | 376.26 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 376.26135 |
| Heavy Atoms | 27 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 54531-01-0 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC1=CC2=C(C=C1CCC)OCO2 |
| InChIKey | VEAUXADIACPWHQ-UHFFFAOYSA-N |
Product Overview
(6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate (CAS 54531-01-0), with molecular formula C23H36O4 and molecular weight 376.26 g/mol. IUPAC: (6-propyl-1,3-benzodioxol-5-yl)methyl dodecanoate.
Chemical Property Profile of (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate
Property Insights of (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate
The XLogP value of 7.9 indicates that (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate?
The CAS number of (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate is 54531-01-0.
What is the molecular formula of (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate?
The molecular formula of (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate is C23H36O4.
What is the molecular weight of (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate?
The molecular weight of (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate is 376.26 g/mol.
Where can I buy (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate?
You can request a quote for (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate?
Yes, KEHONG BIO provides custom synthesis services for (6-Propyl-2H-1,3-benzodioxol-5-yl)methyl dodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.