异丙基N-(2,4,5-三氯苯基)氨基甲酸酯
TL;DR: 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯 (CAS 52819-37-1) is a chemical compound with molecular formula C10H10Cl3NO2 and molecular weight 280.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丙基N-(2,4,5-三氯苯基)氨基甲酸酯
propan-2-yl N-(2,4,5-trichlorophenyl)carbamate
Also Known As: Isopropyl-2,4,5-trichloro carbanilate, propan-2-yl N-(2,4,5-trichlorophenyl)carbamate, ISOPROPYL N-(2,4,5-TRICHLOROPHENYL)CARBAMATE, J1.621.094C, (2,4,5-Trichlorophenyl)carbamic acid isopropyl ester
| Molecular Formula | C10H10Cl3NO2 |
|---|---|
| Molecular Weight | 280.98 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.97772 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 52819-37-1 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | KBPISZYZLAIVBF-UHFFFAOYSA-N |
Product Overview
异丙基N-(2,4,5-三氯苯基)氨基甲酸酯 (CAS 52819-37-1), with molecular formula C10H10Cl3NO2 and molecular weight 280.98 g/mol. IUPAC: propan-2-yl N-(2,4,5-trichlorophenyl)carbamate.
Chemical Property Profile of 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯
Property Insights of 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯
The XLogP value of 4.2 indicates that 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯 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 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯?
The CAS number of 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯 is 52819-37-1.
What is the molecular formula of 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯?
The molecular formula of 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯 is C10H10Cl3NO2.
What is the molecular weight of 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯?
The molecular weight of 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯 is 280.98 g/mol.
Where can I buy 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯?
You can request a quote for 异丙基N-(2,4,5-三氯苯基)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 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 异丙基N-(2,4,5-三氯苯基)氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.