仲丁基N-(3-氯苯基)氨基甲酸酯
TL;DR: 仲丁基N-(3-氯苯基)氨基甲酸酯 (CAS 2164-13-8) 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.
仲丁基N-(3-氯苯基)氨基甲酸酯
butan-2-yl N-(3-chlorophenyl)carbamate
Also Known As: BCPC, BCPC [ISO], BP 9, sec-Butyl N-(3-chlorophenyl)carbamate, butan-2-yl N-(3-chlorophenyl)carbamate
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 2164-13-8 |
|---|---|
| SMILES | CCC(C)OC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | CURLHBZYTFVCRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
仲丁基N-(3-氯苯基)氨基甲酸酯 (CAS 2164-13-8), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: butan-2-yl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 仲丁基N-(3-氯苯基)氨基甲酸酯
Property Insights of 仲丁基N-(3-氯苯基)氨基甲酸酯
The XLogP value of 4.0 indicates that 仲丁基N-(3-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, 仲丁基N-(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, 仲丁基N-(3-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 仲丁基N-(3-氯苯基)氨基甲酸酯?
The CAS number of 仲丁基N-(3-氯苯基)氨基甲酸酯 is 2164-13-8.
What is the molecular formula of 仲丁基N-(3-氯苯基)氨基甲酸酯?
The molecular formula of 仲丁基N-(3-氯苯基)氨基甲酸酯 is C11H14ClNO2.
What is the molecular weight of 仲丁基N-(3-氯苯基)氨基甲酸酯?
The molecular weight of 仲丁基N-(3-氯苯基)氨基甲酸酯 is 227.07 g/mol.
Where can I buy 仲丁基N-(3-氯苯基)氨基甲酸酯?
You can request a quote for 仲丁基N-(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 仲丁基N-(3-氯苯基)氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 仲丁基N-(3-氯苯基)氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.