Phenethylcarbamic Acid
TL;DR: Phenethylcarbamic Acid (CAS 152435-36-4) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylethylcarbamic acid
Also Known As: Phenethylcarbamic Acid, 2-phenylethylcarbamic acid, (2-Phenylethyl)carbamic acid, phenylethylaminocarboxylic acid
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.07898 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 Da |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
| SMILES | C1=CC=C(C=C1)CCNC(=O)O |
| InChIKey | FQCDZURCBARRDO-UHFFFAOYSA-N |
Chemical Property Profile of Phenethylcarbamic Acid
Property Insights of Phenethylcarbamic Acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenethylcarbamic Acid. With a topological polar surface area (TPSA) of 49.3 Ų, Phenethylcarbamic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylcarbamic Acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenethylcarbamic Acid?
The CAS number of Phenethylcarbamic Acid is 152435-36-4.
What is the molecular formula of Phenethylcarbamic Acid?
The molecular formula of Phenethylcarbamic Acid is C9H11NO2.
What is the molecular weight of Phenethylcarbamic Acid?
The molecular weight of Phenethylcarbamic Acid is 165.07898 g/mol.
Where can I buy Phenethylcarbamic Acid?
You can request a quote for Phenethylcarbamic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenethylcarbamic Acid?
Yes, CoreyChem provides custom synthesis services for Phenethylcarbamic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.