1,1'-Cyclohexane-1,4-diylbis(3-methylurea)
TL;DR: 1,1'-Cyclohexane-1,4-diylbis(3-methylurea) (CAS 13907-74-9) is a chemical compound with molecular formula C10H20N4O2 and molecular weight 228.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[4-(methylcarbamoylamino)cyclohexyl]urea
Also Known As: 1,1'-cyclohexane-1,4-diylbis(3-methylurea), KST-1B0372, 1-methyl-3-[4-(methylcarbamoylamino)cyclohexyl]urea, N,N'-Cyclohexane-1,4-diylbis(N'-methylurea)
| Molecular Formula | C10H20N4O2 |
|---|---|
| Molecular Weight | 228.16 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.15863 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 13907-74-9 |
|---|---|
| SMILES | CNC(=O)NC1CCC(CC1)NC(=O)NC |
| InChIKey | AVIOYRMXTIRJRV-UHFFFAOYSA-N |
Product Overview
1,1'-Cyclohexane-1,4-diylbis(3-methylurea) (CAS 13907-74-9), with molecular formula C10H20N4O2 and molecular weight 228.16 g/mol. IUPAC: 1-methyl-3-[4-(methylcarbamoylamino)cyclohexyl]urea.
Chemical Property Profile of 1,1'-Cyclohexane-1,4-diylbis(3-methylurea)
Property Insights of 1,1'-Cyclohexane-1,4-diylbis(3-methylurea)
The XLogP value of -0.2 indicates that 1,1'-Cyclohexane-1,4-diylbis(3-methylurea) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Cyclohexane-1,4-diylbis(3-methylurea). Following Lipinski's Rule of Five, 1,1'-Cyclohexane-1,4-diylbis(3-methylurea) 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'-Cyclohexane-1,4-diylbis(3-methylurea)?
The CAS number of 1,1'-Cyclohexane-1,4-diylbis(3-methylurea) is 13907-74-9.
What is the molecular formula of 1,1'-Cyclohexane-1,4-diylbis(3-methylurea)?
The molecular formula of 1,1'-Cyclohexane-1,4-diylbis(3-methylurea) is C10H20N4O2.
What is the molecular weight of 1,1'-Cyclohexane-1,4-diylbis(3-methylurea)?
The molecular weight of 1,1'-Cyclohexane-1,4-diylbis(3-methylurea) is 228.16 g/mol.
Where can I buy 1,1'-Cyclohexane-1,4-diylbis(3-methylurea)?
You can request a quote for 1,1'-Cyclohexane-1,4-diylbis(3-methylurea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Cyclohexane-1,4-diylbis(3-methylurea)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Cyclohexane-1,4-diylbis(3-methylurea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.