![(1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid structure](/static/products/142/142757-91-3.webp)
(1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
TL;DR: (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 142757-91-3) is a chemical compound with molecular formula C18H22O5 and molecular weight 318.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,3R,4S)-3-[[2-(3-methoxy-3-oxopropyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, (1R,2S,3R,4S)-3-{[2-(3-METHOXY-3-OXOPROPYL)PHENYL]METHYL}-7-OXABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID, (1R,2S,4S)-3beta-[2-(3-Oxo-3-methoxypropyl)benzyl]-7-oxabicyclo[2.2.1]heptane-2beta-carboxylic acid
Technical Specifications
| Molecular Formula | C18H22O5 |
| Molecular Weight | 318.14673 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.14673 Da |
| Heavy Atoms | 23 |
| Complexity | 449.0 |
| SMILES | COC(=O)CCC1=CC=CC=C1C[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)O3 |
| InChIKey | VLPHWGCHKDQJEE-MPTYRVRUSA-N |
Chemical Property Profile of (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Property Insights of (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The CAS number of (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 142757-91-3.
What is the molecular formula of (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular formula of (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is C18H22O5.
What is the molecular weight of (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular weight of (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 318.14673 g/mol.
Where can I buy (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
You can request a quote for (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (1R,2S,3R,4S)-3-(2-(3-Methoxy-3-oxopropyl)benzyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.