Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-
TL;DR: Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)- (CAS 21561-22-8) is a chemical compound with molecular formula C11H15ClN2O3 and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)urea
Also Known As: 1-(2-Chloroethyl)-3-(2,6-dimethoxyphenyl)urea, 4-Anilino-6,7-dimethoxychinazolin, Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-, N-(2-CHLOROETHYL)-N'-(2,6-DIMETHOXYPHENYL)UREA, UREA, N-(2-CHLOROETHYL)-N'-(2,6-DIMETHOXYPHENYL)-
| Molecular Formula | C11H15ClN2O3 |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.07712 |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 21561-22-8 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)NC(=O)NCCCl |
| InChIKey | LVEPMIDOBXJGDU-UHFFFAOYSA-N |
Product Overview
Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)- (CAS 21561-22-8), with molecular formula C11H15ClN2O3 and molecular weight 258.08 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)urea.
Chemical Property Profile of Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-
Property Insights of Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-. With a topological polar surface area (TPSA) of 59.6 Ų, Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)- 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 Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-?
The CAS number of Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)- is 21561-22-8.
What is the molecular formula of Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-?
The molecular formula of Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)- is C11H15ClN2O3.
What is the molecular weight of Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-?
The molecular weight of Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)- is 258.08 g/mol.
Where can I buy Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)-?
You can request a quote for Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)- 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-(2,6-dimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-chloroethyl)-3-(2,6-dimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.