丁基(5-氯-2-甲基苯基)氨基甲酸酯
TL;DR: 丁基(5-氯-2-甲基苯基)氨基甲酸酯 (CAS 78400-25-6) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基(5-氯-2-甲基苯基)氨基甲酸酯
butyl N-(5-chloro-2-methylphenyl)carbamate
Also Known As: butyl (5-chloro-2-methylphenyl)carbamate, butyl(5-chloro-2-methylphenyl)carbamate, butyl N-(5-chloro-2-methylphenyl)carbamate, butoxy-N-(5-chloro-2-methylphenyl)carboxamide, Butyl hydrogen (5-chloro-2-methylphenyl)carbonimidate
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 78400-25-6 |
|---|---|
| SMILES | CCCCOC(=O)NC1=C(C=CC(=C1)Cl)C |
| InChIKey | RMKHMFXHMIXHQX-UHFFFAOYSA-N |
Product Overview
丁基(5-氯-2-甲基苯基)氨基甲酸酯 (CAS 78400-25-6), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: butyl N-(5-chloro-2-methylphenyl)carbamate.
Chemical Property Profile of 丁基(5-氯-2-甲基苯基)氨基甲酸酯
Property Insights of 丁基(5-氯-2-甲基苯基)氨基甲酸酯
The XLogP value of 3.5 indicates that 丁基(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, 丁基(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, 丁基(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 丁基(5-氯-2-甲基苯基)氨基甲酸酯?
The CAS number of 丁基(5-氯-2-甲基苯基)氨基甲酸酯 is 78400-25-6.
What is the molecular formula of 丁基(5-氯-2-甲基苯基)氨基甲酸酯?
The molecular formula of 丁基(5-氯-2-甲基苯基)氨基甲酸酯 is C12H16ClNO2.
What is the molecular weight of 丁基(5-氯-2-甲基苯基)氨基甲酸酯?
The molecular weight of 丁基(5-氯-2-甲基苯基)氨基甲酸酯 is 241.09 g/mol.
Where can I buy 丁基(5-氯-2-甲基苯基)氨基甲酸酯?
You can request a quote for 丁基(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 丁基(5-氯-2-甲基苯基)氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丁基(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.