(S)-(4-Methoxyphenyl)hydroxyacetonitrile
TL;DR: (S)-(4-Methoxyphenyl)hydroxyacetonitrile (CAS 139406-83-0) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile
Also Known As: (S)-(4-Methoxyphenyl)hydroxyacetonitrile, (s)-4-methoxymandelonitrile, (2s)-2-hydroxy-2-(4-methoxyphenyl)acetonitrile, (S)-(+)-4-Methoxymandelonitrile, (S)-(-)-4-Methoxymandelonitrile
Technical Specifications
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.06332 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 Da |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
| SMILES | COC1=CC=C(C=C1)[C@@H](C#N)O |
| InChIKey | WLDAAMXETLHTER-SECBINFHSA-N |
Chemical Property Profile of (S)-(4-Methoxyphenyl)hydroxyacetonitrile
Property Insights of (S)-(4-Methoxyphenyl)hydroxyacetonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-(4-Methoxyphenyl)hydroxyacetonitrile. With a topological polar surface area (TPSA) of 53.3 Ų, (S)-(4-Methoxyphenyl)hydroxyacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-(4-Methoxyphenyl)hydroxyacetonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-(4-Methoxyphenyl)hydroxyacetonitrile?
The CAS number of (S)-(4-Methoxyphenyl)hydroxyacetonitrile is 139406-83-0.
What is the molecular formula of (S)-(4-Methoxyphenyl)hydroxyacetonitrile?
The molecular formula of (S)-(4-Methoxyphenyl)hydroxyacetonitrile is C9H9NO2.
What is the molecular weight of (S)-(4-Methoxyphenyl)hydroxyacetonitrile?
The molecular weight of (S)-(4-Methoxyphenyl)hydroxyacetonitrile is 163.06332 g/mol.
Where can I buy (S)-(4-Methoxyphenyl)hydroxyacetonitrile?
You can request a quote for (S)-(4-Methoxyphenyl)hydroxyacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-(4-Methoxyphenyl)hydroxyacetonitrile?
Yes, CoreyChem provides custom synthesis services for (S)-(4-Methoxyphenyl)hydroxyacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.