2,4,6-Trimethyl-1,3-phenylene diisocyanate
TL;DR: 2,4,6-Trimethyl-1,3-phenylene diisocyanate (CAS 16959-10-7) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diisocyanato-1,3,5-trimethylbenzene
Also Known As: 2,4-diisocyanato-1,3,5-trimethylbenzene, 2,4,6-Trimethyl-1,3-phenylene diisocyanate, 2,4,6-trimethylphenyl 1,3-diisocyanate, 2,4,6-trimethylbenzene-1,3-diisocyanate, 2,4,6-trimethyl-1,3-phenylenediisocyanate
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 2.54646 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 451.54965 |
Chemical Identifiers
| CAS Number | 16959-10-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1N=C=O)C)N=C=O)C |
Product Overview
2,4,6-Trimethyl-1,3-phenylene diisocyanate (CAS 16959-10-7), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 2,4-diisocyanato-1,3,5-trimethylbenzene.
Chemical Property Profile of 2,4,6-Trimethyl-1,3-phenylene diisocyanate
Property Insights of 2,4,6-Trimethyl-1,3-phenylene diisocyanate
The XLogP value of 2.54646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethyl-1,3-phenylene diisocyanate. With a topological polar surface area (TPSA) of 58.86 Ų, 2,4,6-Trimethyl-1,3-phenylene diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethyl-1,3-phenylene 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 2,4,6-Trimethyl-1,3-phenylene diisocyanate?
The CAS number of 2,4,6-Trimethyl-1,3-phenylene diisocyanate is 16959-10-7.
What is the molecular formula of 2,4,6-Trimethyl-1,3-phenylene diisocyanate?
The molecular formula of 2,4,6-Trimethyl-1,3-phenylene diisocyanate is C11H10N2O2.
What is the molecular weight of 2,4,6-Trimethyl-1,3-phenylene diisocyanate?
The molecular weight of 2,4,6-Trimethyl-1,3-phenylene diisocyanate is 202.07 g/mol.
Where can I buy 2,4,6-Trimethyl-1,3-phenylene diisocyanate?
You can request a quote for 2,4,6-Trimethyl-1,3-phenylene diisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethyl-1,3-phenylene diisocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethyl-1,3-phenylene diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.