丁基氨基甲酸2-氯乙酯
TL;DR: 丁基氨基甲酸2-氯乙酯 (CAS 60452-11-1) is a chemical compound with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基氨基甲酸2-氯乙酯
2-chloroethyl N-butylcarbamate
Also Known As: 2-chloroethyl N-butylcarbamate, 2-chloroethyl butylcarbamate, Butylcarbamic acid 2-chloroethyl ester, CARBAMIC ACID, BUTYL-, 2-CHLOROETHYL ESTER, Butylcarbamic acid, 2-chloroethyl ester
| Molecular Formula | C7H14ClNO2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 179.0713 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 60452-11-1 |
|---|---|
| SMILES | CCCCNC(=O)OCCCl |
| InChIKey | SOQHALWRTQBICZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁基氨基甲酸2-氯乙酯 (CAS 60452-11-1), with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol. IUPAC: 2-chloroethyl N-butylcarbamate.
Chemical Property Profile of 丁基氨基甲酸2-氯乙酯
Property Insights of 丁基氨基甲酸2-氯乙酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁基氨基甲酸2-氯乙酯. With a topological polar surface area (TPSA) of 38.3 Ų, 丁基氨基甲酸2-氯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁基氨基甲酸2-氯乙酯 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 丁基氨基甲酸2-氯乙酯?
The CAS number of 丁基氨基甲酸2-氯乙酯 is 60452-11-1.
What is the molecular formula of 丁基氨基甲酸2-氯乙酯?
The molecular formula of 丁基氨基甲酸2-氯乙酯 is C7H14ClNO2.
What is the molecular weight of 丁基氨基甲酸2-氯乙酯?
The molecular weight of 丁基氨基甲酸2-氯乙酯 is 179.07 g/mol.
Where can I buy 丁基氨基甲酸2-氯乙酯?
You can request a quote for 丁基氨基甲酸2-氯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基氨基甲酸2-氯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 丁基氨基甲酸2-氯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.