5-endo-(Cyanomethyl)endothall
TL;DR: 5-endo-(Cyanomethyl)endothall (CAS 127311-92-6) is a chemical compound with molecular formula C10H11NO5 and molecular weight 225.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,3S,4S,5S)-5-(cyanomethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Also Known As: 5-endo-(Cyanomethyl)endothall, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 5-(cyanomethyl)-, (2-exo,3-exo,5-endo)-, 5-endo-(Cyanomethyl)-7-oxabicyclo(2.2.1)heptane-2-exo,3-exo-dicarboxylic acid, (1R,2R,3S,4S,5S)-5-(cyanomethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-(Cyanomethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Technical Specifications
| Molecular Formula | C10H11NO5 |
| Molecular Weight | 225.06372 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.06372 Da |
| Heavy Atoms | 16 |
| Complexity | 384.0 |
| SMILES | C1[C@@H]([C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)O)C(=O)O)CC#N |
| InChIKey | BOQFUAFLFCHLMJ-BJNUKLAGSA-N |
Chemical Property Profile of 5-endo-(Cyanomethyl)endothall
Property Insights of 5-endo-(Cyanomethyl)endothall
The XLogP value of -0.9 indicates that 5-endo-(Cyanomethyl)endothall is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-endo-(Cyanomethyl)endothall. Following Lipinski's Rule of Five, 5-endo-(Cyanomethyl)endothall has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-endo-(Cyanomethyl)endothall?
The CAS number of 5-endo-(Cyanomethyl)endothall is 127311-92-6.
What is the molecular formula of 5-endo-(Cyanomethyl)endothall?
The molecular formula of 5-endo-(Cyanomethyl)endothall is C10H11NO5.
What is the molecular weight of 5-endo-(Cyanomethyl)endothall?
The molecular weight of 5-endo-(Cyanomethyl)endothall is 225.06372 g/mol.
Where can I buy 5-endo-(Cyanomethyl)endothall?
You can request a quote for 5-endo-(Cyanomethyl)endothall directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-endo-(Cyanomethyl)endothall?
Yes, CoreyChem provides custom synthesis services for 5-endo-(Cyanomethyl)endothall and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.