1,1'-Hexamethylenebis (3,3-dimethylurea)
TL;DR: 1,1'-Hexamethylenebis (3,3-dimethylurea) (CAS 20575-76-2) 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.
3-[6-(dimethylcarbamoylamino)hexyl]-1,1-dimethylurea
Also Known As: Rutaecarpine, Rutecarpine, 1,3-dimethylurea], 1,1'-Hexamethylenebis(3,3-dimethylurea), 1,1'-(Hexane-1,6-diyl)bis(3,3-dimethylurea)
| Molecular Formula | C12H26N4O2 |
|---|---|
| Molecular Weight | 258.21 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.20557 |
| Heavy Atoms | 18 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 20575-76-2 |
|---|---|
| SMILES | CN(C)C(=O)NCCCCCCNC(=O)N(C)C |
| InChIKey | JZGGZNWADMJJCC-UHFFFAOYSA-N |
Product Overview
1,1'-Hexamethylenebis (3,3-dimethylurea) (CAS 20575-76-2), with molecular formula C12H26N4O2 and molecular weight 258.21 g/mol. IUPAC: 3-[6-(dimethylcarbamoylamino)hexyl]-1,1-dimethylurea.
Chemical Property Profile of 1,1'-Hexamethylenebis (3,3-dimethylurea)
Property Insights of 1,1'-Hexamethylenebis (3,3-dimethylurea)
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Hexamethylenebis (3,3-dimethylurea). The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Hexamethylenebis (3,3-dimethylurea). Following Lipinski's Rule of Five, 1,1'-Hexamethylenebis (3,3-dimethylurea) has 2 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 (3,3-dimethylurea)?
The CAS number of 1,1'-Hexamethylenebis (3,3-dimethylurea) is 20575-76-2.
What is the molecular formula of 1,1'-Hexamethylenebis (3,3-dimethylurea)?
The molecular formula of 1,1'-Hexamethylenebis (3,3-dimethylurea) is C12H26N4O2.
What is the molecular weight of 1,1'-Hexamethylenebis (3,3-dimethylurea)?
The molecular weight of 1,1'-Hexamethylenebis (3,3-dimethylurea) is 258.21 g/mol.
Where can I buy 1,1'-Hexamethylenebis (3,3-dimethylurea)?
You can request a quote for 1,1'-Hexamethylenebis (3,3-dimethylurea) 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 (3,3-dimethylurea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Hexamethylenebis (3,3-dimethylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.