1-Hydroxyprop-2-yl benzoate
TL;DR: 1-Hydroxyprop-2-yl benzoate (CAS 51591-52-7) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxypropan-2-yl benzoate
Also Known As: 1-Hydroxyprop-2-yl benzoate, 1-hydroxypropan-2-yl benzoate, Glucofrangulin, 2-benzoyloxypropanol, 1,2-propanediol, 2-benzoate
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 51591-52-7 |
|---|---|
| SMILES | CC(CO)OC(=O)C1=CC=CC=C1 |
| InChIKey | LBPLLQWWWCNJBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hydroxyprop-2-yl benzoate (CAS 51591-52-7), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 1-hydroxypropan-2-yl benzoate.
Chemical Property Profile of 1-Hydroxyprop-2-yl benzoate
Property Insights of 1-Hydroxyprop-2-yl benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxyprop-2-yl benzoate. With a topological polar surface area (TPSA) of 46.5 Ų, 1-Hydroxyprop-2-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxyprop-2-yl 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 1-Hydroxyprop-2-yl benzoate?
The CAS number of 1-Hydroxyprop-2-yl benzoate is 51591-52-7.
What is the molecular formula of 1-Hydroxyprop-2-yl benzoate?
The molecular formula of 1-Hydroxyprop-2-yl benzoate is C10H12O3.
What is the molecular weight of 1-Hydroxyprop-2-yl benzoate?
The molecular weight of 1-Hydroxyprop-2-yl benzoate is 180.08 g/mol.
Where can I buy 1-Hydroxyprop-2-yl benzoate?
You can request a quote for 1-Hydroxyprop-2-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxyprop-2-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxyprop-2-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.