![[4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid structure](/static/products/896/896809-53-3.png)
[4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid
TL;DR: [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid (CAS 896809-53-3) is a chemical compound with molecular formula C16H21ClO3 and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]acetic acid
Also Known As: 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyl-oxan-4-yl]acetic Acid, 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]acetic acid, [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid, 2-(4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetic acid
| Molecular Formula | C16H21ClO3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 3.9326 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.11792 |
| Heavy Atoms | 20 |
| Complexity | 498.25027 |
Chemical Identifiers
| CAS Number | 896809-53-3 |
|---|---|
| SMILES | CC1(CC(CCO1)(CC2=CC=CC=C2Cl)CC(=O)O)C |
Product Overview
[4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid (CAS 896809-53-3), with molecular formula C16H21ClO3 and molecular weight 296.12 g/mol. IUPAC: 2-[4-[(2-chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]acetic acid.
Chemical Property Profile of [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid
Property Insights of [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid
The XLogP value of 3.9326 indicates that [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid has 1 hydrogen bond donor(s) and 2 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 [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid?
The CAS number of [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid is 896809-53-3.
What is the molecular formula of [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid?
The molecular formula of [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid is C16H21ClO3.
What is the molecular weight of [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid?
The molecular weight of [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid is 296.12 g/mol.
Where can I buy [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid?
You can request a quote for [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [4-(2-chlorobenzyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.