4-(4-Methoxyphenyl)oxane-4-carboxylic acid
TL;DR: 4-(4-Methoxyphenyl)oxane-4-carboxylic acid (CAS 866767-99-9) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)oxane-4-carboxylic acid
Also Known As: 4-(4-methoxyphenyl)oxane-4-carboxylic acid, 4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carboxylic acid, 4-(4-Methoxy-phenyl)-tetrahydro-pyran-4-carboxylic acid, ChemDiv3_006350, 4-(4-Methoxyphenyl)tetraHYDropyRAN-4-CARBOXYLIC ACID
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 1.828 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 390.3854 |
Chemical Identifiers
| CAS Number | 866767-99-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2(CCOCC2)C(=O)O |
Product Overview
4-(4-Methoxyphenyl)oxane-4-carboxylic acid (CAS 866767-99-9), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 4-(4-methoxyphenyl)oxane-4-carboxylic acid.
Chemical Property Profile of 4-(4-Methoxyphenyl)oxane-4-carboxylic acid
Property Insights of 4-(4-Methoxyphenyl)oxane-4-carboxylic acid
The XLogP value of 1.828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxyphenyl)oxane-4-carboxylic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 4-(4-Methoxyphenyl)oxane-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)oxane-4-carboxylic 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 4-(4-Methoxyphenyl)oxane-4-carboxylic acid?
The CAS number of 4-(4-Methoxyphenyl)oxane-4-carboxylic acid is 866767-99-9.
What is the molecular formula of 4-(4-Methoxyphenyl)oxane-4-carboxylic acid?
The molecular formula of 4-(4-Methoxyphenyl)oxane-4-carboxylic acid is C13H16O4.
What is the molecular weight of 4-(4-Methoxyphenyl)oxane-4-carboxylic acid?
The molecular weight of 4-(4-Methoxyphenyl)oxane-4-carboxylic acid is 236.10 g/mol.
Where can I buy 4-(4-Methoxyphenyl)oxane-4-carboxylic acid?
You can request a quote for 4-(4-Methoxyphenyl)oxane-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-(4-Methoxyphenyl)oxane-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)oxane-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.