Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester
TL;DR: Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester (CAS 32776-76-4) is a chemical compound with molecular formula C6H9ClN4O8 and molecular weight 300.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloro-2,2-dinitroethyl)-nitroamino]acetate
Also Known As: N-(2-Chloro-2,2-dinitroethyl)-N-nitroglycine ethyl ester, GLYCINE, N-(2-CHLORO-2,2-DINITROETHYL)-N-NITRO-, ETHYL ESTER, ethyl [(2-chloro-2,2-dinitroethyl)(nitro)amino]acetate, ethyl 2-[(2-chloro-2,2-dinitroethyl)(nitro)amino]acetate, ethyl 2-[(2-chloro-2,2-dinitroethyl)-nitroamino]acetate
| Molecular Formula | C6H9ClN4O8 |
|---|---|
| Molecular Weight | 300.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.0109 |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 32776-76-4 |
|---|---|
| SMILES | CCOC(=O)CN(CC([N+](=O)[O-])([N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | LRCYZYSYJAOOAR-UHFFFAOYSA-N |
Product Overview
Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester (CAS 32776-76-4), with molecular formula C6H9ClN4O8 and molecular weight 300.01 g/mol. IUPAC: ethyl 2-[(2-chloro-2,2-dinitroethyl)-nitroamino]acetate.
Chemical Property Profile of Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester
Property Insights of Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester. The TPSA of 167.0 Ų indicates high polarity, suggesting Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester has 0 hydrogen bond donor(s) and 9 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 Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester?
The CAS number of Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester is 32776-76-4.
What is the molecular formula of Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester?
The molecular formula of Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester is C6H9ClN4O8.
What is the molecular weight of Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester?
The molecular weight of Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester is 300.01 g/mol.
Where can I buy Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester?
You can request a quote for Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Glycine, N-(2-chloro-2,2-dinitroethyl)-N-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.