![1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea] structure](/static/products/1392/139264-82-7.webp)
1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea]
TL;DR: 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea] (CAS 139264-82-7) is a chemical compound with molecular formula C18H20Cl2N4O3 and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[4-[4-(2-chloroethylcarbamoylamino)phenoxy]phenyl]urea
Also Known As: KST-1B0389, 1,1'-(oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea], N,N'-[Oxydi(4,1-phenylene)]bis[N'-(2-chloroethyl)urea], 1-(2-chloroethyl)-3-[4-[4-(2-chloroethylcarbamoylamino)pheno, 1-(2-chloroethyl)-3-[4-[4-(2-chloroethylcarbamoylamino)phenoxy]phenyl]urea
| Molecular Formula | C18H20Cl2N4O3 |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.09125 |
| Heavy Atoms | 27 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 139264-82-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NCCCl)OC2=CC=C(C=C2)NC(=O)NCCCl |
| InChIKey | SYBLZOPRUYYTRO-UHFFFAOYSA-N |
Product Overview
1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea] (CAS 139264-82-7), with molecular formula C18H20Cl2N4O3 and molecular weight 410.09 g/mol. IUPAC: 1-(2-chloroethyl)-3-[4-[4-(2-chloroethylcarbamoylamino)phenoxy]phenyl]urea.
Chemical Property Profile of 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea]
Property Insights of 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea]
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea]. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea]. Following Lipinski's Rule of Five, 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea] has 4 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 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea]?
The CAS number of 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea] is 139264-82-7.
What is the molecular formula of 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea]?
The molecular formula of 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea] is C18H20Cl2N4O3.
What is the molecular weight of 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea]?
The molecular weight of 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea] is 410.09 g/mol.
Where can I buy 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea]?
You can request a quote for 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea]?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(Oxydi-4,1-phenylene)bis[3-(2-chloroethyl)urea] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.