Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-
TL;DR: Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)- (CAS 16269-16-2) is a chemical compound with molecular formula C12H22Cl2N4O2 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[(1R,2R)-2-(2-chloroethylcarbamoylamino)cyclohexyl]urea
Also Known As: KST-1B0814, 1,1'-(1r,2r)-cyclohexane-1,2-diylbis[3-(2-chloroethyl)urea], Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-, Urea, 1,1'-(trans-1,2-cyclohexylene)bis(3-(2-chloroethyl)-, Urea, 1,1-(trans-1,2-cyclohexylene)bis(3-(2-chloroethyl)-
| Molecular Formula | C12H22Cl2N4O2 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.11197 |
| Heavy Atoms | 20 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 16269-16-2 |
|---|---|
| SMILES | C1CC[C@H]([C@@H](C1)NC(=O)NCCCl)NC(=O)NCCCl |
| InChIKey | CMCLQPSPSCZGRS-NXEZZACHSA-N |
Product Overview
Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)- (CAS 16269-16-2), with molecular formula C12H22Cl2N4O2 and molecular weight 324.11 g/mol. IUPAC: 1-(2-chloroethyl)-3-[(1R,2R)-2-(2-chloroethylcarbamoylamino)cyclohexyl]urea.
Chemical Property Profile of Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-
Property Insights of Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-. Following Lipinski's Rule of Five, Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)- 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 Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-?
The CAS number of Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)- is 16269-16-2.
What is the molecular formula of Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-?
The molecular formula of Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)- is C12H22Cl2N4O2.
What is the molecular weight of Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-?
The molecular weight of Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)- is 324.11 g/mol.
Where can I buy Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-?
You can request a quote for Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea,1'-(trans-1,2-cyclohexylene)bis[3-(2-chloroethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.