N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide
TL;DR: N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide (CAS 80687-06-5) is a chemical compound with molecular formula C5H8ClN3O4 and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-chloroethyl(nitroso)carbamoyl]amino]acetic acid
Also Known As: Cnc-GA, n-n-nitrosocarbamoylglycinamide, Glycine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-, N-(2-Chloroethyl)-N-nitrosocarbamoylglycinamide, ((2-chloroethyl)(nitroso)carbamoyl)glycine
| Molecular Formula | C5H8ClN3O4 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.02034 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 80687-06-5 |
|---|---|
| SMILES | C(CCl)N(C(=O)NCC(=O)O)N=O |
| InChIKey | KQQQWIYFYYPIDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide (CAS 80687-06-5), with molecular formula C5H8ClN3O4 and molecular weight 209.02 g/mol. IUPAC: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]acetic acid.
Chemical Property Profile of N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide
Property Insights of N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide. Following Lipinski's Rule of Five, N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide has 2 hydrogen bond donor(s) and 5 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 N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide?
The CAS number of N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide is 80687-06-5.
What is the molecular formula of N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide?
The molecular formula of N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide is C5H8ClN3O4.
What is the molecular weight of N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide?
The molecular weight of N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide is 209.02 g/mol.
Where can I buy N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide?
You can request a quote for N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloroethyl)-N-nitrosocarbamoylglycinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.