5-endo-(Ethoxycarbonyl)endothall
TL;DR: 5-endo-(Ethoxycarbonyl)endothall (CAS 127331-49-1) is a chemical compound with molecular formula C11H14O7 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3S,4S,5S)-5-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Also Known As: 5-endo-(Ethoxycarbonyl)endothall, Nik 228, 7-Oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylic acid, 5-ethyl ester, (2-exo,3-exo,5-endo)-, 5-Ethyl 7-oxabicyclo(2.2.1)heptane-2,3,5-tricarboxylate (2-exo,3-exo,5-endo)-, 5-(Ethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
| Molecular Formula | C11H14O7 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.07394 |
| Heavy Atoms | 18 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 127331-49-1 |
|---|---|
| SMILES | CCOC(=O)[C@H]1C[C@@H]2[C@@H]([C@@H]([C@H]1O2)C(=O)O)C(=O)O |
| InChIKey | KLJMWDHCGAZVEJ-BJNUKLAGSA-N |
Product Overview
5-endo-(Ethoxycarbonyl)endothall (CAS 127331-49-1), with molecular formula C11H14O7 and molecular weight 258.07 g/mol. IUPAC: (1R,2R,3S,4S,5S)-5-ethoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
Chemical Property Profile of 5-endo-(Ethoxycarbonyl)endothall
Property Insights of 5-endo-(Ethoxycarbonyl)endothall
The XLogP value of -0.6 indicates that 5-endo-(Ethoxycarbonyl)endothall is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-endo-(Ethoxycarbonyl)endothall. Following Lipinski's Rule of Five, 5-endo-(Ethoxycarbonyl)endothall has 2 hydrogen bond donor(s) and 7 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 5-endo-(Ethoxycarbonyl)endothall?
The CAS number of 5-endo-(Ethoxycarbonyl)endothall is 127331-49-1.
What is the molecular formula of 5-endo-(Ethoxycarbonyl)endothall?
The molecular formula of 5-endo-(Ethoxycarbonyl)endothall is C11H14O7.
What is the molecular weight of 5-endo-(Ethoxycarbonyl)endothall?
The molecular weight of 5-endo-(Ethoxycarbonyl)endothall is 258.07 g/mol.
Where can I buy 5-endo-(Ethoxycarbonyl)endothall?
You can request a quote for 5-endo-(Ethoxycarbonyl)endothall directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-endo-(Ethoxycarbonyl)endothall?
Yes, KEHONG BIO provides custom synthesis services for 5-endo-(Ethoxycarbonyl)endothall and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.