Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-
TL;DR: Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)- (CAS 55525-54-7) is a chemical compound with molecular formula C23H38N4O3 and molecular weight 418.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea
Also Known As: 1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea, N,N'-Bis(5-isocyanato-1,3,3-trimethylcyclohexylmethyl)urea, 3,3'-(Ureylenedimethylene)bis(3,5,5-trimethylcyclohexyl) diisocyanate, N,N'-Bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)urea, N,N'-Bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea
| Molecular Formula | C23H38N4O3 |
|---|---|
| Molecular Weight | 418.29 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.2944 |
| Heavy Atoms | 30 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 55525-54-7 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CNC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)N=C=O)C |
| InChIKey | SLSSBKMDWYZIRQ-UHFFFAOYSA-N |
Product Overview
Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)- (CAS 55525-54-7), with molecular formula C23H38N4O3 and molecular weight 418.29 g/mol. IUPAC: 1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea.
Chemical Property Profile of Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-
Property Insights of Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-
The XLogP value of 6.4 indicates that Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-. Following Lipinski's Rule of Five, Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-?
The CAS number of Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)- is 55525-54-7.
What is the molecular formula of Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-?
The molecular formula of Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)- is C23H38N4O3.
What is the molecular weight of Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-?
The molecular weight of Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)- is 418.29 g/mol.
Where can I buy Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-?
You can request a quote for Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N,N'-bis((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.