3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid
TL;DR: 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid (CAS 88149-49-9) is a chemical compound with molecular formula C16H22O3 and molecular weight 262.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethyloxan-4-yl)-3-phenylpropanoic acid
Also Known As: 3-(2,2-dimethyloxan-4-yl)-3-phenylpropanoic acid, 3-(2,2-Dimethyltetrahydropyran-4-yl)-3-phenyl-propionic acid, 2,6-Dibromo-4-(trifluoromethoxy)aniline, BAS 02788254, 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-3-phenyl-propionic acid
| Molecular Formula | C16H22O3 |
|---|---|
| Molecular Weight | 262.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.1569 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 88149-49-9 |
|---|---|
| SMILES | CC1(CC(CCO1)C(CC(=O)O)C2=CC=CC=C2)C |
| InChIKey | BJEUBLWZXDCPQM-UHFFFAOYSA-N |
Product Overview
3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid (CAS 88149-49-9), with molecular formula C16H22O3 and molecular weight 262.16 g/mol. IUPAC: 3-(2,2-dimethyloxan-4-yl)-3-phenylpropanoic acid.
Chemical Property Profile of 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid
Property Insights of 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid 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-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid?
The CAS number of 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid is 88149-49-9.
What is the molecular formula of 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid?
The molecular formula of 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid is C16H22O3.
What is the molecular weight of 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid?
The molecular weight of 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid is 262.16 g/mol.
Where can I buy 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid?
You can request a quote for 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-Dimethyloxan-4-yl)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.