5-Hydroxypentyl benzoate
TL;DR: 5-Hydroxypentyl benzoate (CAS 55162-82-8) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxypentyl benzoate
Also Known As: 5-Hydroxypentyl benzoate, 5-benzoyloxypentan-1-ol, 1,5-Pentanediol, 1-benzoate, 1,5-Pentanediol, monobenzoate, 5-Hydroxypentyl benzoate #
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 55162-82-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCCO |
| InChIKey | ZDFJGZURXDDEHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hydroxypentyl benzoate (CAS 55162-82-8), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 5-hydroxypentyl benzoate.
Chemical Property Profile of 5-Hydroxypentyl benzoate
Property Insights of 5-Hydroxypentyl benzoate
The XLogP value of 3.0 indicates that 5-Hydroxypentyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Hydroxypentyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxypentyl benzoate has 1 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-Hydroxypentyl benzoate?
The CAS number of 5-Hydroxypentyl benzoate is 55162-82-8.
What is the molecular formula of 5-Hydroxypentyl benzoate?
The molecular formula of 5-Hydroxypentyl benzoate is C12H16O3.
What is the molecular weight of 5-Hydroxypentyl benzoate?
The molecular weight of 5-Hydroxypentyl benzoate is 208.11 g/mol.
Where can I buy 5-Hydroxypentyl benzoate?
You can request a quote for 5-Hydroxypentyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxypentyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxypentyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.