![1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea] structure](/static/products/1629/16292-90-3.webp)
1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]
TL;DR: 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea] (CAS 16292-90-3) is a chemical compound with molecular formula C12H16Cl2N4O2 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[4-(2-chloroethylcarbamoylamino)phenyl]urea
Also Known As: NCIOpen2_009009, KST-1B0820, 1,1'-benzene-1,4-diylbis[3-(2-chloroethyl)urea], 1,4-di[3-(2-chloroethyl)ureido]benzene, N,N'-1,4-Phenylenebis[N'-(2-chloroethyl)urea]
| Molecular Formula | C12H16Cl2N4O2 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.06503 |
| Heavy Atoms | 20 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 16292-90-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NCCCl)NC(=O)NCCCl |
| InChIKey | JWHWQBGXRFLSGK-UHFFFAOYSA-N |
Product Overview
1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea] (CAS 16292-90-3), with molecular formula C12H16Cl2N4O2 and molecular weight 318.07 g/mol. IUPAC: 1-(2-chloroethyl)-3-[4-(2-chloroethylcarbamoylamino)phenyl]urea.
Chemical Property Profile of 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]
Property Insights of 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]. Following Lipinski's Rule of Five, 1,1'-Benzene-1,4-diylbis[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'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]?
The CAS number of 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea] is 16292-90-3.
What is the molecular formula of 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]?
The molecular formula of 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea] is C12H16Cl2N4O2.
What is the molecular weight of 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]?
The molecular weight of 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea] is 318.07 g/mol.
Where can I buy 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]?
You can request a quote for 1,1'-Benzene-1,4-diylbis[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'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea]?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Benzene-1,4-diylbis[3-(2-chloroethyl)urea] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.