2-(Benzyloxy)butanal
TL;DR: 2-(Benzyloxy)butanal (CAS 137819-87-5) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylmethoxybutanal
Also Known As: 2-(benzyloxy)butanal, benzyloxybutanal, 2-phenylmethoxybutanal, 2-Benzyloxybutyraldehyde, Buanal, 2-(phenylmethoxy)-
Technical Specifications
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.09938 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 Da |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
| SMILES | CCC(C=O)OCC1=CC=CC=C1 |
| InChIKey | YTXIEUATJGWTOC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzyloxy)butanal
Property Insights of 2-(Benzyloxy)butanal
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzyloxy)butanal. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Benzyloxy)butanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzyloxy)butanal has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Benzyloxy)butanal?
The CAS number of 2-(Benzyloxy)butanal is 137819-87-5.
What is the molecular formula of 2-(Benzyloxy)butanal?
The molecular formula of 2-(Benzyloxy)butanal is C11H14O2.
What is the molecular weight of 2-(Benzyloxy)butanal?
The molecular weight of 2-(Benzyloxy)butanal is 178.09938 g/mol.
Where can I buy 2-(Benzyloxy)butanal?
You can request a quote for 2-(Benzyloxy)butanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzyloxy)butanal?
Yes, CoreyChem provides custom synthesis services for 2-(Benzyloxy)butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.