![3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid structure](/static/products/6917/6917-45-9.webp)
3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
TL;DR: 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 6917-45-9) is a chemical compound with molecular formula C14H22O5S and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: 3-(2-butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(2-butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane, 3-{[2-(BUTYLSULFANYL)ETHOXY]CARBONYL}-7-OXABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID
| Molecular Formula | C14H22O5S |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 302.1188 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 6917-45-9 |
|---|---|
| SMILES | CCCCSCCOC(=O)C1C2CCC(C1C(=O)O)O2 |
| InChIKey | XBNKGOUYKZYJBP-UHFFFAOYSA-N |
Product Overview
3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CAS 6917-45-9), with molecular formula C14H22O5S and molecular weight 302.12 g/mol. IUPAC: 3-(2-butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Property Insights of 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has 1 hydrogen bond donor(s) and 6 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-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The CAS number of 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 6917-45-9.
What is the molecular formula of 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular formula of 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is C14H22O5S.
What is the molecular weight of 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The molecular weight of 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is 302.12 g/mol.
Where can I buy 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
You can request a quote for 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic 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-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Butylsulfanylethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.