3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid
TL;DR: 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid (CAS 436099-91-1) is a chemical compound with molecular formula C17H24O3 and molecular weight 276.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethyloxan-4-yl)-4-phenylbutanoic acid
Also Known As: Semotiadil recemate fumarate, 3-(2,2-dimethyloxan-4-yl)-4-phenylbutanoic acid, 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid, 1-Cycloheptyl-piperazinehydrochloride, 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutanoic acid
| Molecular Formula | C17H24O3 |
|---|---|
| Molecular Weight | 276.17 g/mol |
| LogP | 3.5252 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.17255 |
| Heavy Atoms | 20 |
| Complexity | 438.80817 |
Chemical Identifiers
| CAS Number | 436099-91-1 |
|---|---|
| SMILES | CC1(CC(CCO1)C(CC2=CC=CC=C2)CC(=O)O)C |
Product Overview
3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid (CAS 436099-91-1), with molecular formula C17H24O3 and molecular weight 276.17 g/mol. IUPAC: 3-(2,2-dimethyloxan-4-yl)-4-phenylbutanoic acid.
Chemical Property Profile of 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid
Property Insights of 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid
The XLogP value of 3.5252 indicates that 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric 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, 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric 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 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid?
The CAS number of 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid is 436099-91-1.
What is the molecular formula of 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid?
The molecular formula of 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid is C17H24O3.
What is the molecular weight of 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid?
The molecular weight of 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid is 276.17 g/mol.
Where can I buy 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid?
You can request a quote for 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric 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-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-4-phenyl-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.