5-Oxopentyl benzoate
TL;DR: 5-Oxopentyl benzoate (CAS 55162-83-9) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxopentyl benzoate
Also Known As: 5-Oxopentyl benzoate, 4-formylbutyl benzoate, Pentanal, 5-(benzoyloxy)-, Benzoicacid5-oxopentylester, 5-Oxopentyl benzoate #
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 55162-83-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCC=O |
| InChIKey | GVMCAESDBLOXND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Oxopentyl benzoate (CAS 55162-83-9), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 5-oxopentyl benzoate.
Chemical Property Profile of 5-Oxopentyl benzoate
Property Insights of 5-Oxopentyl benzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxopentyl benzoate. With a topological polar surface area (TPSA) of 43.4 Ų, 5-Oxopentyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxopentyl benzoate 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
Frequently Asked Questions
What is the CAS number of 5-Oxopentyl benzoate?
The CAS number of 5-Oxopentyl benzoate is 55162-83-9.
What is the molecular formula of 5-Oxopentyl benzoate?
The molecular formula of 5-Oxopentyl benzoate is C12H14O3.
What is the molecular weight of 5-Oxopentyl benzoate?
The molecular weight of 5-Oxopentyl benzoate is 206.09 g/mol.
Where can I buy 5-Oxopentyl benzoate?
You can request a quote for 5-Oxopentyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxopentyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxopentyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.