7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-
TL;DR: 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)- (CAS 109282-40-8) is a chemical compound with molecular formula C10H14O5 and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,4S)-3-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: (exo,exo)-Monoethyl 7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylate, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-, 3-(Ethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, (1R,2R,3S,4S)-3-(ethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, RefChem:311213
| Molecular Formula | C10H14O5 |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.08412 |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 109282-40-8 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1[C@@H]2CC[C@H]([C@@H]1C(=O)O)O2 |
| InChIKey | LVRCGKQYGUKJKS-VGRMVHKJSA-N |
Product Overview
7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)- (CAS 109282-40-8), with molecular formula C10H14O5 and molecular weight 214.08 g/mol. IUPAC: (1R,2R,3S,4S)-3-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-
Property Insights of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-. Following Lipinski's Rule of Five, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)- 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
Frequently Asked Questions
What is the CAS number of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-?
The CAS number of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)- is 109282-40-8.
What is the molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-?
The molecular formula of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)- is C10H14O5.
What is the molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-?
The molecular weight of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)- is 214.08 g/mol.
Where can I buy 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-?
You can request a quote for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.