1,1'-Hexamethylenebis(3-ethylurea)
TL;DR: 1,1'-Hexamethylenebis(3-ethylurea) (CAS 96874-50-9) is a chemical compound with molecular formula C12H26N4O2 and molecular weight 258.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[6-(ethylcarbamoylamino)hexyl]urea
Also Known As: 1,1'-HEXAMETHYLENEBIS(3-ETHYLUREA), 1,1'-hexane-1,6-diylbis(3-ethylurea), 1,1'-(Hexane-1,6-diyl)bis(3-ethylurea), 1-ethyl-3-[6-(ethylcarbamoylamino)hexyl]urea
| Molecular Formula | C12H26N4O2 |
|---|---|
| Molecular Weight | 258.21 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 258.20557 |
| Heavy Atoms | 18 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 96874-50-9 |
|---|---|
| SMILES | CCNC(=O)NCCCCCCNC(=O)NCC |
| InChIKey | MRHOHLOVVJDWBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-Hexamethylenebis(3-ethylurea) (CAS 96874-50-9), with molecular formula C12H26N4O2 and molecular weight 258.21 g/mol. IUPAC: 1-ethyl-3-[6-(ethylcarbamoylamino)hexyl]urea.
Chemical Property Profile of 1,1'-Hexamethylenebis(3-ethylurea)
Property Insights of 1,1'-Hexamethylenebis(3-ethylurea)
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Hexamethylenebis(3-ethylurea). The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Hexamethylenebis(3-ethylurea). Following Lipinski's Rule of Five, 1,1'-Hexamethylenebis(3-ethylurea) 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'-Hexamethylenebis(3-ethylurea)?
The CAS number of 1,1'-Hexamethylenebis(3-ethylurea) is 96874-50-9.
What is the molecular formula of 1,1'-Hexamethylenebis(3-ethylurea)?
The molecular formula of 1,1'-Hexamethylenebis(3-ethylurea) is C12H26N4O2.
What is the molecular weight of 1,1'-Hexamethylenebis(3-ethylurea)?
The molecular weight of 1,1'-Hexamethylenebis(3-ethylurea) is 258.21 g/mol.
Where can I buy 1,1'-Hexamethylenebis(3-ethylurea)?
You can request a quote for 1,1'-Hexamethylenebis(3-ethylurea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Hexamethylenebis(3-ethylurea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Hexamethylenebis(3-ethylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.