Propan-2-yl 3-hydroxy-3-phenylpropanoate
TL;DR: Propan-2-yl 3-hydroxy-3-phenylpropanoate (CAS 27751-80-0) 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.
propan-2-yl 3-hydroxy-3-phenylpropanoate
Also Known As: propan-2-yl 3-hydroxy-3-phenylpropanoate, ISOPROPYL 3-HYDROXY-3-PHENYLPROPANOATE, isopropyl 3-hydroxy-3-phenyl-propanoate, J1.428.147I, 3-Hydroxy-3-phenylpropanoic acid isopropyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 27751-80-0 |
|---|---|
| SMILES | CC(C)OC(=O)CC(C1=CC=CC=C1)O |
| InChIKey | PQCWHPORJRGOMC-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 3-hydroxy-3-phenylpropanoate (CAS 27751-80-0), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: propan-2-yl 3-hydroxy-3-phenylpropanoate.
Chemical Property Profile of Propan-2-yl 3-hydroxy-3-phenylpropanoate
Property Insights of Propan-2-yl 3-hydroxy-3-phenylpropanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 3-hydroxy-3-phenylpropanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Propan-2-yl 3-hydroxy-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 3-hydroxy-3-phenylpropanoate 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 Propan-2-yl 3-hydroxy-3-phenylpropanoate?
The CAS number of Propan-2-yl 3-hydroxy-3-phenylpropanoate is 27751-80-0.
What is the molecular formula of Propan-2-yl 3-hydroxy-3-phenylpropanoate?
The molecular formula of Propan-2-yl 3-hydroxy-3-phenylpropanoate is C12H16O3.
What is the molecular weight of Propan-2-yl 3-hydroxy-3-phenylpropanoate?
The molecular weight of Propan-2-yl 3-hydroxy-3-phenylpropanoate is 208.11 g/mol.
Where can I buy Propan-2-yl 3-hydroxy-3-phenylpropanoate?
You can request a quote for Propan-2-yl 3-hydroxy-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 3-hydroxy-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 3-hydroxy-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.