单(苯基氨基甲酸)-1,2-乙二醇酯
TL;DR: 单(苯基氨基甲酸)-1,2-乙二醇酯 (CAS 709-93-3) 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.
单(苯基氨基甲酸)-1,2-乙二醇酯
2-hydroxyethyl N-phenylcarbamate
Also Known As: 2-hydroxyethyl N-phenylcarbamate, 2-hydroxyethyl phenylcarbamate, MONO(PHENYLCARBAMATE)-1,2-ETHANEDIOL, Phenylcarbamic acid 2-hydroxyethyl ester, J1.370.972F
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 709-93-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OCCO |
| InChIKey | FSOVHNHKAGQLGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
单(苯基氨基甲酸)-1,2-乙二醇酯 (CAS 709-93-3), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 2-hydroxyethyl N-phenylcarbamate.
Chemical Property Profile of 单(苯基氨基甲酸)-1,2-乙二醇酯
Property Insights of 单(苯基氨基甲酸)-1,2-乙二醇酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 单(苯基氨基甲酸)-1,2-乙二醇酯. With a topological polar surface area (TPSA) of 58.6 Ų, 单(苯基氨基甲酸)-1,2-乙二醇酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 单(苯基氨基甲酸)-1,2-乙二醇酯 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 单(苯基氨基甲酸)-1,2-乙二醇酯?
The CAS number of 单(苯基氨基甲酸)-1,2-乙二醇酯 is 709-93-3.
What is the molecular formula of 单(苯基氨基甲酸)-1,2-乙二醇酯?
The molecular formula of 单(苯基氨基甲酸)-1,2-乙二醇酯 is C9H11NO3.
What is the molecular weight of 单(苯基氨基甲酸)-1,2-乙二醇酯?
The molecular weight of 单(苯基氨基甲酸)-1,2-乙二醇酯 is 181.07 g/mol.
Where can I buy 单(苯基氨基甲酸)-1,2-乙二醇酯?
You can request a quote for 单(苯基氨基甲酸)-1,2-乙二醇酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 单(苯基氨基甲酸)-1,2-乙二醇酯?
Yes, KEHONG BIO provides custom synthesis services for 单(苯基氨基甲酸)-1,2-乙二醇酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.