alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate
TL;DR: alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate (CAS 2778-41-8) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2-isocyanatopropan-2-yl)benzene
Also Known As: Bis(isocyanatomethyl)durene, 1,4-bis benzene, P-TMXDI, p-Tetramethylxylylene diisocyanate, 1,4-BIS(1-ISOCYANATO-1-METHYLETHYL)BENZENE
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 2778-41-8 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)C(C)(C)N=C=O)N=C=O |
| InChIKey | AGJCSCSSMFRMFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate (CAS 2778-41-8), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 1,4-bis(2-isocyanatopropan-2-yl)benzene.
Chemical Property Profile of alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate
Property Insights of alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate
The XLogP value of 4.6 indicates that alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate has 0 hydrogen bond donor(s) and 4 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 alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate?
The CAS number of alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate is 2778-41-8.
What is the molecular formula of alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate?
The molecular formula of alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate is C14H16N2O2.
What is the molecular weight of alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate?
The molecular weight of alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate is 244.12 g/mol.
Where can I buy alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate?
You can request a quote for alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha,alpha',alpha'-Tetramethylxylylene diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.