氯苯甘氨醇氨基甲酸酯
TL;DR: 氯苯甘氨醇氨基甲酸酯 (CAS 886-74-8) is a chemical compound with molecular formula C10H12ClNO4 and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯苯甘氨醇氨基甲酸酯
[3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
Also Known As: CHLORPHENESIN CARBAMATE, Maolate, Rinlaxer, Adermykon, chlorphenesin
| Molecular Formula | C10H12ClNO4 |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.04549 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
| Melting Point | 89-91 °C |
| Solubility | READILY SOL IN 95% ETHANOL, ACETONE, ETHYL ACETATE; FAIRLY READILY SOL IN DIOXANE; ALMOST INSOL IN COLD WATER, BENZENE, CYCLOHEXANE |
Chemical Identifiers
| CAS Number | 886-74-8 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(COC(=O)N)O)Cl |
| InChIKey | SKPLBLUECSEIFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯苯甘氨醇氨基甲酸酯 (CAS 886-74-8), with molecular formula C10H12ClNO4 and molecular weight 245.05 g/mol. IUPAC: [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate.
Chemical Property Profile of 氯苯甘氨醇氨基甲酸酯
Property Insights of 氯苯甘氨醇氨基甲酸酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯苯甘氨醇氨基甲酸酯. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯苯甘氨醇氨基甲酸酯. Following Lipinski's Rule of Five, 氯苯甘氨醇氨基甲酸酯 has 2 hydrogen bond donor(s) and 4 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 氯苯甘氨醇氨基甲酸酯?
The CAS number of 氯苯甘氨醇氨基甲酸酯 is 886-74-8.
What is the molecular formula of 氯苯甘氨醇氨基甲酸酯?
The molecular formula of 氯苯甘氨醇氨基甲酸酯 is C10H12ClNO4.
What is the molecular weight of 氯苯甘氨醇氨基甲酸酯?
The molecular weight of 氯苯甘氨醇氨基甲酸酯 is 245.05 g/mol.
Where can I buy 氯苯甘氨醇氨基甲酸酯?
You can request a quote for 氯苯甘氨醇氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯苯甘氨醇氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 氯苯甘氨醇氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.