异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯
TL;DR: 异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯 (CAS 31600-99-4) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯
propan-2-yl N-(5-chloro-2-methylphenyl)carbamate
Also Known As: ISOPROPYL N-(5-CHLORO-2-METHYLPHENYL)CARBAMATE, propan-2-yl(5-chloro-2-methylphenyl)carbamate, Isopropyl (5-chloro-2-methylphenyl)carbamate, J1.582.157D, propan-2-yl N-(5-chloro-2-methylphenyl)carbamate
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 31600-99-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)OC(C)C |
| InChIKey | FZCOJKJBLKSJIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯 (CAS 31600-99-4), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: propan-2-yl N-(5-chloro-2-methylphenyl)carbamate.
Chemical Property Profile of 异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯
Property Insights of 异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯
The XLogP value of 3.1 indicates that 异丙基N-(5-氯-2-甲基苯基)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-(5-氯-2-甲基苯基)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-(5-氯-2-甲基苯基)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-(5-氯-2-甲基苯基)氨基甲酸酯?
The CAS number of 异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯 is 31600-99-4.
What is the molecular formula of 异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯?
The molecular formula of 异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯 is C11H14ClNO2.
What is the molecular weight of 异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯?
The molecular weight of 异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯 is 227.07 g/mol.
Where can I buy 异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯?
You can request a quote for 异丙基N-(5-氯-2-甲基苯基)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-(5-氯-2-甲基苯基)氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 异丙基N-(5-氯-2-甲基苯基)氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.