Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate
TL;DR: Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate (CAS 1098653-19-0) is a chemical compound with molecular formula C10H19ClN2O3 and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[1-(2-chloroethylamino)-1-oxopropan-2-yl]carbamate
Also Known As: N~2~-(tert-Butoxycarbonyl)-N-(2-chloroethyl)alaninamide, Tert-butyl N-[1-(2-chloroethylcarbamoyl)ethyl]carbamate, TERT-BUTYL 2-((2-CHLOROETHYL)AMINO)-1-METHYL-2-OXOETHYLCARBAMATE, tert-butyl N-[1-(2-chloroethylamino)-1-oxopropan-2-yl]carbamate, Carbamic acid, N-[2-[(2-chloroethyl)amino]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester
| Molecular Formula | C10H19ClN2O3 |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 1.2546 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.10841 |
| Heavy Atoms | 16 |
| Complexity | 250.93892 |
Chemical Identifiers
| CAS Number | 1098653-19-0 |
|---|---|
| SMILES | CC(C(=O)NCCCl)NC(=O)OC(C)(C)C |
Product Overview
Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate (CAS 1098653-19-0), with molecular formula C10H19ClN2O3 and molecular weight 250.11 g/mol. IUPAC: tert-butyl N-[1-(2-chloroethylamino)-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate
Property Insights of Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate
The XLogP value of 1.2546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate. Following Lipinski's Rule of Five, Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate has 2 hydrogen bond donor(s) and 3 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 Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate?
The CAS number of Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate is 1098653-19-0.
What is the molecular formula of Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate?
The molecular formula of Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate is C10H19ClN2O3.
What is the molecular weight of Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate?
The molecular weight of Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate is 250.11 g/mol.
Where can I buy Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate?
You can request a quote for Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-((2-chloroethyl)amino)-1-methyl-2-oxoethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.