(2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile
TL;DR: (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile (CAS 105307-09-3) 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-(3-methoxyphenyl)acetonitrile
Also Known As: (S)-3-Methoxymandelonitrile, (-)-m-Methoxy-L-mandelonitrile, (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile, hydroxy(3-methoxyphenyl)acetonitrile, (S)-Hydroxy(m-methoxyphenyl)acetonitrile
Technical Specifications
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.06332 g/mol |
| XLogP | 1.4 |
| 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 | 184.0 |
| SMILES | COC1=CC=CC(=C1)[C@@H](C#N)O |
| InChIKey | XDOJPCPGMDHJAA-SECBINFHSA-N |
Chemical Property Profile of (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile
Property Insights of (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile. With a topological polar surface area (TPSA) of 53.3 Ų, (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile 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 (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile?
The CAS number of (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile is 105307-09-3.
What is the molecular formula of (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile?
The molecular formula of (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile is C9H9NO2.
What is the molecular weight of (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile?
The molecular weight of (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile is 163.06332 g/mol.
Where can I buy (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile?
You can request a quote for (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for (2S)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.