2-氯乙基N-苯基氨基甲酸酯
TL;DR: 2-氯乙基N-苯基氨基甲酸酯 (CAS 3747-48-6) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯乙基N-苯基氨基甲酸酯
2-chloroethyl N-phenylcarbamate
Also Known As: 2-Chloroethyl N-phenylcarbamate, 2-Chloroethyl phenylcarbamate, Ethanol, carbanilate, Ethanol, phenylcarbamate, Ethanol, 2-chloro-, carbanilate
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 3747-48-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OCCCl |
| InChIKey | QYQGDFBVSZVCKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯乙基N-苯基氨基甲酸酯 (CAS 3747-48-6), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: 2-chloroethyl N-phenylcarbamate.
Chemical Property Profile of 2-氯乙基N-苯基氨基甲酸酯
Property Insights of 2-氯乙基N-苯基氨基甲酸酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯乙基N-苯基氨基甲酸酯. With a topological polar surface area (TPSA) of 38.3 Ų, 2-氯乙基N-苯基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯乙基N-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 2-氯乙基N-苯基氨基甲酸酯?
The CAS number of 2-氯乙基N-苯基氨基甲酸酯 is 3747-48-6.
What is the molecular formula of 2-氯乙基N-苯基氨基甲酸酯?
The molecular formula of 2-氯乙基N-苯基氨基甲酸酯 is C9H10ClNO2.
What is the molecular weight of 2-氯乙基N-苯基氨基甲酸酯?
The molecular weight of 2-氯乙基N-苯基氨基甲酸酯 is 199.04 g/mol.
Where can I buy 2-氯乙基N-苯基氨基甲酸酯?
You can request a quote for 2-氯乙基N-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 2-氯乙基N-苯基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氯乙基N-苯基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.