1,1'-Hexamethylenebis(3-butylurea)
TL;DR: 1,1'-Hexamethylenebis(3-butylurea) (CAS 20633-53-8) is a chemical compound with molecular formula C16H34N4O2 and molecular weight 314.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[6-(butylcarbamoylamino)hexyl]urea
Also Known As: 1,1'-HEXAMETHYLENEBIS(3-BUTYLUREA), 1-butyl-3-[6-(butylcarbamoylamino)hexyl]urea, 3-butyl-1-[6-(butylcarbamoylamino)hexyl]urea
| Molecular Formula | C16H34N4O2 |
|---|---|
| Molecular Weight | 314.27 g/mol |
| LogP | 2.7454 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 314.2682 |
| Heavy Atoms | 22 |
| Complexity | 257.31937 |
Chemical Identifiers
| CAS Number | 20633-53-8 |
|---|---|
| SMILES | CCCCNC(=O)NCCCCCCNC(=O)NCCCC |
Product Overview
1,1'-Hexamethylenebis(3-butylurea) (CAS 20633-53-8), with molecular formula C16H34N4O2 and molecular weight 314.27 g/mol. IUPAC: 1-butyl-3-[6-(butylcarbamoylamino)hexyl]urea.
Chemical Property Profile of 1,1'-Hexamethylenebis(3-butylurea)
Property Insights of 1,1'-Hexamethylenebis(3-butylurea)
The XLogP value of 2.7454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Hexamethylenebis(3-butylurea). The TPSA of 82.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Hexamethylenebis(3-butylurea). Following Lipinski's Rule of Five, 1,1'-Hexamethylenebis(3-butylurea) 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-butylurea)?
The CAS number of 1,1'-Hexamethylenebis(3-butylurea) is 20633-53-8.
What is the molecular formula of 1,1'-Hexamethylenebis(3-butylurea)?
The molecular formula of 1,1'-Hexamethylenebis(3-butylurea) is C16H34N4O2.
What is the molecular weight of 1,1'-Hexamethylenebis(3-butylurea)?
The molecular weight of 1,1'-Hexamethylenebis(3-butylurea) is 314.27 g/mol.
Where can I buy 1,1'-Hexamethylenebis(3-butylurea)?
You can request a quote for 1,1'-Hexamethylenebis(3-butylurea) 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-butylurea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Hexamethylenebis(3-butylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.