Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso-
TL;DR: Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso- (CAS 80639-80-1) is a chemical compound with molecular formula C12H16ClN3O4 and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[(2,3-dimethoxyphenyl)methyl]-1-nitrosourea
Also Known As: Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso-, 1-(2-Chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitrosourea, N-(2-Chloroethyl)-N-nitroso-N'-(2',3'-dimethoxybenzyl)urea, 1-(2-chloroethyl)-3-[(2,3-dimethoxyphenyl)methyl]-1-nitrosourea, N-(2-Chloroethyl)-N'-[(2,3-dimethoxyphenyl)methyl]-N-nitrosourea
| Molecular Formula | C12H16ClN3O4 |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 2.1356 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.08295 |
| Heavy Atoms | 20 |
| Complexity | 470.0157 |
Chemical Identifiers
| CAS Number | 80639-80-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)CNC(=O)N(CCCl)N=O |
Product Overview
Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso- (CAS 80639-80-1), with molecular formula C12H16ClN3O4 and molecular weight 301.08 g/mol. IUPAC: 1-(2-chloroethyl)-3-[(2,3-dimethoxyphenyl)methyl]-1-nitrosourea.
Chemical Property Profile of Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso-
Property Insights of Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso-
The XLogP value of 2.1356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso-. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso-. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso- has 1 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 Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso-?
The CAS number of Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso- is 80639-80-1.
What is the molecular formula of Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso-?
The molecular formula of Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso- is C12H16ClN3O4.
What is the molecular weight of Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso-?
The molecular weight of Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso- is 301.08 g/mol.
Where can I buy Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso-?
You can request a quote for Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-chloroethyl)-3-(2,3-dimethoxybenzyl)-1-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.