苯乙酸-2-羟丙酯
TL;DR: 苯乙酸-2-羟丙酯 (CAS 80550-09-0) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙酸-2-羟丙酯
2-hydroxypropyl 2-phenylacetate
Also Known As: 2-Hydroxypropyl phenylacetate, 2-hydroxypropyl 2-phenylacetate, Benzeneacetic acid, 2-hydroxypropyl ester, Benzeneacetic acid 2-hydroxypropyl ester, RefChem:562843
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 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 | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 80550-09-0 |
|---|---|
| SMILES | CC(COC(=O)CC1=CC=CC=C1)O |
| InChIKey | DMVWKGDEFQXZJS-UHFFFAOYSA-N |
Product Overview
苯乙酸-2-羟丙酯 (CAS 80550-09-0), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-hydroxypropyl 2-phenylacetate.
Chemical Property Profile of 苯乙酸-2-羟丙酯
Property Insights of 苯乙酸-2-羟丙酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯乙酸-2-羟丙酯. With a topological polar surface area (TPSA) of 46.5 Ų, 苯乙酸-2-羟丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙酸-2-羟丙酯 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 苯乙酸-2-羟丙酯?
The CAS number of 苯乙酸-2-羟丙酯 is 80550-09-0.
What is the molecular formula of 苯乙酸-2-羟丙酯?
The molecular formula of 苯乙酸-2-羟丙酯 is C11H14O3.
What is the molecular weight of 苯乙酸-2-羟丙酯?
The molecular weight of 苯乙酸-2-羟丙酯 is 194.09 g/mol.
Where can I buy 苯乙酸-2-羟丙酯?
You can request a quote for 苯乙酸-2-羟丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙酸-2-羟丙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯乙酸-2-羟丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.