3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one
TL;DR: 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one (CAS 81156-95-8) is a chemical compound with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4-hydroxy-4-methyloxolan-2-one
Also Known As: 3-(4-chlorophenyl)-4-hydroxy-4-methyloxolan-2-one, 3-(4-chlorophenyl)-4-hydroxy-4-methyldihydrofuran-2(3h)-one, 3-(4-chlorophenyl)-4-hydroxy-4-methyl-oxolan-2-one
| Molecular Formula | C11H11ClO3 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.03967 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 81156-95-8 |
|---|---|
| SMILES | CC1(COC(=O)C1C2=CC=C(C=C2)Cl)O |
| InChIKey | QNLJPIYXEPJSIY-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one (CAS 81156-95-8), with molecular formula C11H11ClO3 and molecular weight 226.04 g/mol. IUPAC: 3-(4-chlorophenyl)-4-hydroxy-4-methyloxolan-2-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one
Property Insights of 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one 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 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one?
The CAS number of 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one is 81156-95-8.
What is the molecular formula of 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one?
The molecular formula of 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one is C11H11ClO3.
What is the molecular weight of 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one?
The molecular weight of 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one is 226.04 g/mol.
Where can I buy 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one?
You can request a quote for 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-4-hydroxy-4-methyloxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.