(1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester
TL;DR: (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester (CAS 39622-53-2) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-oxatricyclo[5.1.0.02,4]oct-5-ene-6,7-dicarboxylate
Also Known As: (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester, Dimethyl 3-oxatricyclo[5.1.0.0~2,4~]oct-5-ene-6,7-dicarboxylate, dimethyl 3-oxatricyclo[5.1.0.02,4]oct-5-ene-6,7-dicarboxylate, (1.alpha.,2.alpha.,4.alpha.,7.alpha.)-3-Oxatricyclo[5.1.0.0(2,4)]-oct-5-ene-6,7-dicarboxylic acid dimethylester
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 39622-53-2 |
|---|---|
| SMILES | COC(=O)C1=CC2C(O2)C3C1(C3)C(=O)OC |
| InChIKey | VYQZQIBPLFCQRJ-UHFFFAOYSA-N |
Product Overview
(1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester (CAS 39622-53-2), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: dimethyl 3-oxatricyclo[5.1.0.02,4]oct-5-ene-6,7-dicarboxylate.
Chemical Property Profile of (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester
Property Insights of (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester. Following Lipinski's Rule of Five, (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester has 0 hydrogen bond donor(s) and 5 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 (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester?
The CAS number of (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester is 39622-53-2.
What is the molecular formula of (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester?
The molecular formula of (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester is C11H12O5.
What is the molecular weight of (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester?
The molecular weight of (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester is 224.07 g/mol.
Where can I buy (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester?
You can request a quote for (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1alpha,2alpha,4alpha,7alpha)-3-Oxatricyclo(5.1.0.0(2,4))oct-5-ene-6,7-dicarboxylic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.