Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester
TL;DR: Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester (CAS 114506-94-4) is a chemical compound with molecular formula C23H24O9 and molecular weight 444.14203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxycarbonyl]cyclohexane-1-carboxylic acid
Also Known As: Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester, 2-(2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl)oxycarbonylcyclohexane-1-carboxylic acid, 1,2-Cyclohexanedicarboxylic acid, mono(2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl) ester, 1,2-Cyclohexanedicarboxylicacid,1-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl]ester, 2-({[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-chromen-3-yl]oxy}carbonyl)cyclohexanecarboxylic acid
Technical Specifications
| Molecular Formula | C23H24O9 |
| Molecular Weight | 444.14203 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.14203 Da |
| Heavy Atoms | 32 |
| Complexity | 684.0 |
| SMILES | C1CCC(C(C1)C(=O)O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C=C4)O)O)O)O |
| InChIKey | TUYWOWKXHXFCCA-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester
Property Insights of Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester. The TPSA of 154.0 Ų indicates high polarity, suggesting Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester?
The CAS number of Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester is 114506-94-4.
What is the molecular formula of Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester?
The molecular formula of Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester is C23H24O9.
What is the molecular weight of Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester?
The molecular weight of Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester is 444.14203 g/mol.
Where can I buy Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester?
You can request a quote for Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid (S)-1-cyano-2-o-tolyloxy-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.