2,2-二氯乙基氨基甲酸丁酯
TL;DR: 2,2-二氯乙基氨基甲酸丁酯 (CAS 67049-74-5) is a chemical compound with molecular formula C7H13Cl2NO2 and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二氯乙基氨基甲酸丁酯
butyl N-(2,2-dichloroethyl)carbamate
Also Known As: 2,2-Dichloroethylcarbamic acid butyl ester, butyl N-(2,2-dichloroethyl)carbamate, Butyl (2,2-dichloroethyl)carbamate, CARBAMIC ACID, 2,2-DICHLOROETHYL-, BUTYL ESTER, N-(2,2-Dichloroethyl)carbamic acid butyl ester
| Molecular Formula | C7H13Cl2NO2 |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 213.03233 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 67049-74-5 |
|---|---|
| SMILES | CCCCOC(=O)NCC(Cl)Cl |
| InChIKey | GDQLPESNAZVUEC-UHFFFAOYSA-N |
Product Overview
2,2-二氯乙基氨基甲酸丁酯 (CAS 67049-74-5), with molecular formula C7H13Cl2NO2 and molecular weight 213.03 g/mol. IUPAC: butyl N-(2,2-dichloroethyl)carbamate.
Chemical Property Profile of 2,2-二氯乙基氨基甲酸丁酯
Property Insights of 2,2-二氯乙基氨基甲酸丁酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二氯乙基氨基甲酸丁酯. With a topological polar surface area (TPSA) of 38.3 Ų, 2,2-二氯乙基氨基甲酸丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二氯乙基氨基甲酸丁酯 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 2,2-二氯乙基氨基甲酸丁酯?
The CAS number of 2,2-二氯乙基氨基甲酸丁酯 is 67049-74-5.
What is the molecular formula of 2,2-二氯乙基氨基甲酸丁酯?
The molecular formula of 2,2-二氯乙基氨基甲酸丁酯 is C7H13Cl2NO2.
What is the molecular weight of 2,2-二氯乙基氨基甲酸丁酯?
The molecular weight of 2,2-二氯乙基氨基甲酸丁酯 is 213.03 g/mol.
Where can I buy 2,2-二氯乙基氨基甲酸丁酯?
You can request a quote for 2,2-二氯乙基氨基甲酸丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二氯乙基氨基甲酸丁酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二氯乙基氨基甲酸丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.