二乙基(2-氯亚丁基)二氨基甲酸酯
TL;DR: 二乙基(2-氯亚丁基)二氨基甲酸酯 (CAS 9041-04-7) is a chemical compound with molecular formula C10H19ClN2O4 and molecular weight 266.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二乙基(2-氯亚丁基)二氨基甲酸酯
ethyl N-[2-chloro-1-(ethoxycarbonylamino)butyl]carbamate
Also Known As: diethyl(2-chlorobutane-1,1-diyl)biscarbamate, diethyl (2-chlorobutane-1,1-diyl)dicarbamate, (2-CHLOROBUTYLIDENE)DICARBAMIC ACID, DIETHYL ESTER, ethyl N-[2-chloro-1-(ethoxycarbonylamino)butyl]carbamate
| Molecular Formula | C10H19ClN2O4 |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 266.10333 |
| Heavy Atoms | 17 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 9041-04-7 |
|---|---|
| SMILES | CCC(C(NC(=O)OCC)NC(=O)OCC)Cl |
| InChIKey | XHZPNWYHYACREP-UHFFFAOYSA-N |
Product Overview
二乙基(2-氯亚丁基)二氨基甲酸酯 (CAS 9041-04-7), with molecular formula C10H19ClN2O4 and molecular weight 266.10 g/mol. IUPAC: ethyl N-[2-chloro-1-(ethoxycarbonylamino)butyl]carbamate.
Chemical Property Profile of 二乙基(2-氯亚丁基)二氨基甲酸酯
Property Insights of 二乙基(2-氯亚丁基)二氨基甲酸酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二乙基(2-氯亚丁基)二氨基甲酸酯. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 二乙基(2-氯亚丁基)二氨基甲酸酯. Following Lipinski's Rule of Five, 二乙基(2-氯亚丁基)二氨基甲酸酯 has 2 hydrogen bond donor(s) and 4 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 二乙基(2-氯亚丁基)二氨基甲酸酯?
The CAS number of 二乙基(2-氯亚丁基)二氨基甲酸酯 is 9041-04-7.
What is the molecular formula of 二乙基(2-氯亚丁基)二氨基甲酸酯?
The molecular formula of 二乙基(2-氯亚丁基)二氨基甲酸酯 is C10H19ClN2O4.
What is the molecular weight of 二乙基(2-氯亚丁基)二氨基甲酸酯?
The molecular weight of 二乙基(2-氯亚丁基)二氨基甲酸酯 is 266.10 g/mol.
Where can I buy 二乙基(2-氯亚丁基)二氨基甲酸酯?
You can request a quote for 二乙基(2-氯亚丁基)二氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙基(2-氯亚丁基)二氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二乙基(2-氯亚丁基)二氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.