4-Benzyloxybutanal
TL;DR: 4-Benzyloxybutanal (CAS 6330-28-5) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylmethoxybutanal
Also Known As: 4-(benzyloxy)butanal, 4-BENZYLOXYBUTANAL, 4-phenylmethoxybutanal, 4-benzoxybutanal, 4- Benzoxybutanol
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 6330-28-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COCCCC=O |
| InChIKey | QTISZPXYPZNBQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzyloxybutanal (CAS 6330-28-5), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 4-phenylmethoxybutanal.
Chemical Property Profile of 4-Benzyloxybutanal
Property Insights of 4-Benzyloxybutanal
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzyloxybutanal. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Benzyloxybutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyloxybutanal 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
Frequently Asked Questions
What is the CAS number of 4-Benzyloxybutanal?
The CAS number of 4-Benzyloxybutanal is 6330-28-5.
What is the molecular formula of 4-Benzyloxybutanal?
The molecular formula of 4-Benzyloxybutanal is C11H14O2.
What is the molecular weight of 4-Benzyloxybutanal?
The molecular weight of 4-Benzyloxybutanal is 178.10 g/mol.
Where can I buy 4-Benzyloxybutanal?
You can request a quote for 4-Benzyloxybutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyloxybutanal?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyloxybutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.