4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate
TL;DR: 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate (CAS 28886-07-9) is a chemical compound with molecular formula C25H16N4O4 and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-diisocyanato-5-methylphenyl)-phenylmethyl]-2,4-diisocyanato-5-methylbenzene
Also Known As: EINECS 249-286-0, 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate, Bis(2,4-diisocyanato-5-methylphenyl)phenylmethane, 1,1 -(Phenylmethylene)bis(2,4-diisocyanato-5-methylbenzene), 1,1'-(Phenylmethylene)bis(2,4-diisocyanato-5-methylbenzene)
| Molecular Formula | C25H16N4O4 |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 5.35284 |
| Topological Polar Surface Area | 117.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.11716 |
| Heavy Atoms | 33 |
| Complexity | 1316.5646 |
Chemical Identifiers
| CAS Number | 28886-07-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=C=O)N=C=O)C(C2=CC=CC=C2)C3=C(C=C(C(=C3)C)N=C=O)N=C=O |
Product Overview
4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate (CAS 28886-07-9), with molecular formula C25H16N4O4 and molecular weight 436.12 g/mol. IUPAC: 1-[(2,4-diisocyanato-5-methylphenyl)-phenylmethyl]-2,4-diisocyanato-5-methylbenzene.
Chemical Property Profile of 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate
Property Insights of 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate
The XLogP value of 5.35284 indicates that 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate. Following Lipinski's Rule of Five, 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate has 0 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 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate?
The CAS number of 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate is 28886-07-9.
What is the molecular formula of 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate?
The molecular formula of 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate is C25H16N4O4.
What is the molecular weight of 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate?
The molecular weight of 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate is 436.12 g/mol.
Where can I buy 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate?
You can request a quote for 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.