(3,3-Diethoxypropoxy)benzene
TL;DR: (3,3-Diethoxypropoxy)benzene (CAS 153750-77-7) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-diethoxypropoxybenzene
Also Known As: 3,3-diethoxypropoxybenzene, (3,3-diethoxypropoxy)benzene
Technical Specifications
| Molecular Formula | C13H20O3 |
| Molecular Weight | 224.14125 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 224.14125 Da |
| Heavy Atoms | 16 |
| Complexity | 149.0 |
| SMILES | CCOC(CCOC1=CC=CC=C1)OCC |
| InChIKey | NZCOTSBKZQBTGU-UHFFFAOYSA-N |
Chemical Property Profile of (3,3-Diethoxypropoxy)benzene
Property Insights of (3,3-Diethoxypropoxy)benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,3-Diethoxypropoxy)benzene. With a topological polar surface area (TPSA) of 27.7 Ų, (3,3-Diethoxypropoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,3-Diethoxypropoxy)benzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3,3-Diethoxypropoxy)benzene?
The CAS number of (3,3-Diethoxypropoxy)benzene is 153750-77-7.
What is the molecular formula of (3,3-Diethoxypropoxy)benzene?
The molecular formula of (3,3-Diethoxypropoxy)benzene is C13H20O3.
What is the molecular weight of (3,3-Diethoxypropoxy)benzene?
The molecular weight of (3,3-Diethoxypropoxy)benzene is 224.14125 g/mol.
Where can I buy (3,3-Diethoxypropoxy)benzene?
You can request a quote for (3,3-Diethoxypropoxy)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3,3-Diethoxypropoxy)benzene?
Yes, CoreyChem provides custom synthesis services for (3,3-Diethoxypropoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.