N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea)
TL;DR: N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea) (CAS 68845-12-5) is a chemical compound with molecular formula C27H52N4O8Si2 and molecular weight 616.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-methyl-6-(3-triethoxysilylpropylcarbamoylamino)phenyl]-3-(3-triethoxysilylpropyl)urea
Also Known As: Bis(triethoxysilylpropylureido)toluene, N,N''- bis[N'-[3- propyl]urea], Urea, N,N''-(methylphenylene)bis[N'-[3-(triethoxysilyl)propyl]-, Urea, N,N''-(methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)-, N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea)
| Molecular Formula | C27H52N4O8Si2 |
|---|---|
| Molecular Weight | 616.33 g/mol |
| LogP | 5.11502 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Exact Mass | 616.3324 |
| Heavy Atoms | 41 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 68845-12-5 |
|---|---|
| SMILES | CCO[Si](CCCNC(=O)NC1=CC=CC(=C1NC(=O)NCCC[Si](OCC)(OCC)OCC)C)(OCC)OCC |
| InChIKey | JJSXKJIZVCWEAT-UHFFFAOYSA-N |
Product Overview
N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea) (CAS 68845-12-5), with molecular formula C27H52N4O8Si2 and molecular weight 616.33 g/mol. IUPAC: 1-[2-methyl-6-(3-triethoxysilylpropylcarbamoylamino)phenyl]-3-(3-triethoxysilylpropyl)urea.
Chemical Property Profile of N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea)
Property Insights of N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea)
The XLogP value of 5.11502 indicates that N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea). Following Lipinski's Rule of Five, N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea)?
The CAS number of N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea) is 68845-12-5.
What is the molecular formula of N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea)?
The molecular formula of N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea) is C27H52N4O8Si2.
What is the molecular weight of N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea)?
The molecular weight of N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea) is 616.33 g/mol.
Where can I buy N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea)?
You can request a quote for N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea)?
Yes, KEHONG BIO provides custom synthesis services for N,N''-(Methylphenylene)bis(N'-(3-(triethoxysilyl)propyl)urea) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.