![1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea] structure](/static/products/1392/139232-80-7.webp)
1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea]
TL;DR: 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea] (CAS 139232-80-7) is a chemical compound with molecular formula C12H15Cl3N4O2 and molecular weight 352.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-chloro-2-(2-chloroethylcarbamoylamino)phenyl]-3-(2-chloroethyl)urea
Also Known As: KST-1B0388, 1,1'-(4-chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea], 1-[4-chloro-2-(2-chloroethylcarbamoylamino)phenyl]-3-(2-chlo, N,N'-(4-Chloro-1,2-phenylene)bis[N'-(2-chloroethyl)urea], 1-[4-chloro-2-(2-chloroethylcarbamoylamino)phenyl]-3-(2-chloroethyl)urea
| Molecular Formula | C12H15Cl3N4O2 |
|---|---|
| Molecular Weight | 352.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.02606 |
| Heavy Atoms | 21 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 139232-80-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)NC(=O)NCCCl)NC(=O)NCCCl |
| InChIKey | QESXVROQYUEKCK-UHFFFAOYSA-N |
Product Overview
1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea] (CAS 139232-80-7), with molecular formula C12H15Cl3N4O2 and molecular weight 352.03 g/mol. IUPAC: 1-[4-chloro-2-(2-chloroethylcarbamoylamino)phenyl]-3-(2-chloroethyl)urea.
Chemical Property Profile of 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea]
Property Insights of 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea]
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea]. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea]. Following Lipinski's Rule of Five, 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea] has 4 hydrogen bond donor(s) and 2 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'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea]?
The CAS number of 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea] is 139232-80-7.
What is the molecular formula of 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea]?
The molecular formula of 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea] is C12H15Cl3N4O2.
What is the molecular weight of 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea]?
The molecular weight of 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea] is 352.03 g/mol.
Where can I buy 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea]?
You can request a quote for 1,1'-(4-Chlorobenzene-1,2-diyl)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'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea]?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(4-Chlorobenzene-1,2-diyl)bis[3-(2-chloroethyl)urea] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.