4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid
TL;DR: 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid (CAS 374702-03-1) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2,2-dimethyloxane-4-carboxylic acid
Also Known As: BIM-0028407.P001, 4-benzyl-2,2-dimethyloxane-4-carboxylic acid, 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.8891 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 424.62466 |
Chemical Identifiers
| CAS Number | 374702-03-1 |
|---|---|
| SMILES | CC1(CC(CCO1)(CC2=CC=CC=C2)C(=O)O)C |
Product Overview
4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid (CAS 374702-03-1), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 4-benzyl-2,2-dimethyloxane-4-carboxylic acid.
Chemical Property Profile of 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid
Property Insights of 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid
The XLogP value of 2.8891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic 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-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid?
The CAS number of 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid is 374702-03-1.
What is the molecular formula of 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid?
The molecular formula of 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid is C15H20O3.
What is the molecular weight of 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid?
The molecular weight of 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid is 248.14 g/mol.
Where can I buy 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid?
You can request a quote for 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.