4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯
TL;DR: 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯 (CAS 3159-28-2) is a chemical compound with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯
4-hydroxybut-2-ynyl N-(3-chlorophenyl)carbamate
Also Known As: 4-Hydroxy-2-butynyl (3-chlorophenyl)carbamate, 2-Hydroxy-5-isopropyl-benzoic acid, 4-hydroxy-2-butynyl 3-chlorophenylcarbamate, 4-hydroxybut-2-yn-1-yl(3-chlorophenyl)carbamate, 4-hydroxybut-2-yn-1-yl (3-chlorophenyl)carbamate
| Molecular Formula | C11H10ClNO3 |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.03493 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 3159-28-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCO |
| InChIKey | ACYQQFWLJXHFND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯 (CAS 3159-28-2), with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol. IUPAC: 4-hydroxybut-2-ynyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯
Property Insights of 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯. With a topological polar surface area (TPSA) of 58.6 Ų, 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯 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 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯?
The CAS number of 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯 is 3159-28-2.
What is the molecular formula of 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯?
The molecular formula of 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯 is C11H10ClNO3.
What is the molecular weight of 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯?
The molecular weight of 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯 is 239.03 g/mol.
Where can I buy 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯?
You can request a quote for 4-羟基-2-丁炔基(3-氯苯基)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 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-2-丁炔基(3-氯苯基)氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.