氨基甲酸(α-乙基苄基)酯
TL;DR: 氨基甲酸(α-乙基苄基)酯 (CAS 73747-47-4) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨基甲酸(α-乙基苄基)酯
1-phenylpropyl carbamate
Also Known As: 1-phenylpropyl carbamate, Phenyl-aethyl-carbinol-carbamat, Benzenemethanol, alpha-ethyl-, carbamate, Benzyl alcohol, alpha-ethyl-, carbamate, Phenyl-aethyl-carbinol-carbamat [German]
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 73747-47-4 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)OC(=O)N |
| InChIKey | UADNETKAZLEZAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氨基甲酸(α-乙基苄基)酯 (CAS 73747-47-4), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 1-phenylpropyl carbamate.
Chemical Property Profile of 氨基甲酸(α-乙基苄基)酯
Property Insights of 氨基甲酸(α-乙基苄基)酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氨基甲酸(α-乙基苄基)酯. With a topological polar surface area (TPSA) of 52.3 Ų, 氨基甲酸(α-乙基苄基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氨基甲酸(α-乙基苄基)酯 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氨基甲酸(α-乙基苄基)酯?
The CAS number of 氨基甲酸(α-乙基苄基)酯 is 73747-47-4.
What is the molecular formula of 氨基甲酸(α-乙基苄基)酯?
The molecular formula of 氨基甲酸(α-乙基苄基)酯 is C10H13NO2.
What is the molecular weight of 氨基甲酸(α-乙基苄基)酯?
The molecular weight of 氨基甲酸(α-乙基苄基)酯 is 179.09 g/mol.
Where can I buy 氨基甲酸(α-乙基苄基)酯?
You can request a quote for 氨基甲酸(α-乙基苄基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨基甲酸(α-乙基苄基)酯?
Yes, KEHONG BIO provides custom synthesis services for 氨基甲酸(α-乙基苄基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.