N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea
TL;DR: N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea (CAS 42936-80-1) is a chemical compound with molecular formula C17H24ClN3O11 and molecular weight 481.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl acetate
Also Known As: Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-, [3,4,5-triacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amin, Urea, N-(2-chloroethyl)-N-nitroso-N'-(tetra-O-acetyl-beta-D-glucopyranosyl)-, 1-(2-Chloroethyl)-1-nitroso-3-(2,3,4,6-tetra-O-acetyl-D-glucopyranos-1-yl)urea, 2,3,4,6-tetra-o-acetyl-n-[(2-chloroethyl)(nitroso)carbamoyl]-
| Molecular Formula | C17H24ClN3O11 |
|---|---|
| Molecular Weight | 481.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 481.10992 |
| Heavy Atoms | 32 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 42936-80-1 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | AOUKENUMKWIYHM-IBEHDNSVSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea (CAS 42936-80-1), with molecular formula C17H24ClN3O11 and molecular weight 481.11 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl acetate.
Chemical Property Profile of N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea
Property Insights of N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea. The TPSA of 176.0 Ų indicates high polarity, suggesting N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea?
The CAS number of N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea is 42936-80-1.
What is the molecular formula of N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea?
The molecular formula of N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea is C17H24ClN3O11.
What is the molecular weight of N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea?
The molecular weight of N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea is 481.11 g/mol.
Where can I buy N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea?
You can request a quote for N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea 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-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-I2-D-glucopyranosyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.