N-乙基氨基甲酸3-羟基苯酯
TL;DR: N-乙基氨基甲酸3-羟基苯酯 (CAS 108490-80-8) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-乙基氨基甲酸3-羟基苯酯
(3-hydroxyphenyl) N-ethylcarbamate
Also Known As: 3-hydroxyphenyl N-ethylcarbamate, (3-hydroxyphenyl) N-ethylcarbamate, Carbamic acid, ethyl-, 3-hydroxyphenyl ester, 3-Hydroxyphenyl ethylcarbamate, 3-hydroxyphenylN-ethylcarbamate
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 108490-80-8 |
|---|---|
| SMILES | CCNC(=O)OC1=CC=CC(=C1)O |
| InChIKey | VEICXUIUCXSTCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-乙基氨基甲酸3-羟基苯酯 (CAS 108490-80-8), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: (3-hydroxyphenyl) N-ethylcarbamate.
Chemical Property Profile of N-乙基氨基甲酸3-羟基苯酯
Property Insights of N-乙基氨基甲酸3-羟基苯酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-乙基氨基甲酸3-羟基苯酯. With a topological polar surface area (TPSA) of 58.6 Ų, N-乙基氨基甲酸3-羟基苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-乙基氨基甲酸3-羟基苯酯 has 2 hydrogen bond donor(s) and 3 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 N-乙基氨基甲酸3-羟基苯酯?
The CAS number of N-乙基氨基甲酸3-羟基苯酯 is 108490-80-8.
What is the molecular formula of N-乙基氨基甲酸3-羟基苯酯?
The molecular formula of N-乙基氨基甲酸3-羟基苯酯 is C9H11NO3.
What is the molecular weight of N-乙基氨基甲酸3-羟基苯酯?
The molecular weight of N-乙基氨基甲酸3-羟基苯酯 is 181.07 g/mol.
Where can I buy N-乙基氨基甲酸3-羟基苯酯?
You can request a quote for N-乙基氨基甲酸3-羟基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-乙基氨基甲酸3-羟基苯酯?
Yes, KEHONG BIO provides custom synthesis services for N-乙基氨基甲酸3-羟基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.