4,4'-Methylenebis(2,6-diethylphenyl isocyanate)
TL;DR: 4,4'-Methylenebis(2,6-diethylphenyl isocyanate) (CAS 105442-35-1) is a chemical compound with molecular formula C23H26N2O2 and molecular weight 362.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,5-diethyl-4-isocyanatophenyl)methyl]-1,3-diethyl-2-isocyanatobenzene
Also Known As: 4,4'-Methylenebis(2,6-diethylphenyl isocyanate), 5-[(3,5-diethyl-4-isocyanatophenyl)methyl]-1,3-diethyl-2-isocyanatobenzene, Benzene,1,1'-methylenebis[2,6-diethyl-4-isocyanato-, 4,4/'-Methylenebis(2,6-diethylphenyl isocyanate), Methylenebis(2,6-diethyl-4,1-phenylene)diisocyanate
| Molecular Formula | C23H26N2O2 |
|---|---|
| Molecular Weight | 362.20 g/mol |
| LogP | 5.4616 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.19943 |
| Heavy Atoms | 27 |
| Complexity | 792.461 |
Chemical Identifiers
| CAS Number | 105442-35-1 |
|---|---|
| SMILES | CCC1=CC(=CC(=C1N=C=O)CC)CC2=CC(=C(C(=C2)CC)N=C=O)CC |
Product Overview
4,4'-Methylenebis(2,6-diethylphenyl isocyanate) (CAS 105442-35-1), with molecular formula C23H26N2O2 and molecular weight 362.20 g/mol. IUPAC: 5-[(3,5-diethyl-4-isocyanatophenyl)methyl]-1,3-diethyl-2-isocyanatobenzene.
Chemical Property Profile of 4,4'-Methylenebis(2,6-diethylphenyl isocyanate)
Property Insights of 4,4'-Methylenebis(2,6-diethylphenyl isocyanate)
The XLogP value of 5.4616 indicates that 4,4'-Methylenebis(2,6-diethylphenyl isocyanate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.86 Ų, 4,4'-Methylenebis(2,6-diethylphenyl isocyanate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Methylenebis(2,6-diethylphenyl isocyanate) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Methylenebis(2,6-diethylphenyl isocyanate)?
The CAS number of 4,4'-Methylenebis(2,6-diethylphenyl isocyanate) is 105442-35-1.
What is the molecular formula of 4,4'-Methylenebis(2,6-diethylphenyl isocyanate)?
The molecular formula of 4,4'-Methylenebis(2,6-diethylphenyl isocyanate) is C23H26N2O2.
What is the molecular weight of 4,4'-Methylenebis(2,6-diethylphenyl isocyanate)?
The molecular weight of 4,4'-Methylenebis(2,6-diethylphenyl isocyanate) is 362.20 g/mol.
Where can I buy 4,4'-Methylenebis(2,6-diethylphenyl isocyanate)?
You can request a quote for 4,4'-Methylenebis(2,6-diethylphenyl isocyanate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Methylenebis(2,6-diethylphenyl isocyanate)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Methylenebis(2,6-diethylphenyl isocyanate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.