2-Methyl-1,5-naphthalene diisocyanate
TL;DR: 2-Methyl-1,5-naphthalene diisocyanate (CAS 56775-58-7) is a chemical compound with molecular formula C13H8N2O2 and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-diisocyanato-2-methylnaphthalene
Also Known As: 2-Methyl-1,5-naphthalene diisocyanate, 1,5-diisocyanato-2-methylnaphthalene
| Molecular Formula | C13H8N2O2 |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.05858 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 56775-58-7 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=CC=C2)N=C=O)N=C=O |
| InChIKey | WWWOJJNVCOVBNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1,5-naphthalene diisocyanate (CAS 56775-58-7), with molecular formula C13H8N2O2 and molecular weight 224.06 g/mol. IUPAC: 1,5-diisocyanato-2-methylnaphthalene.
Chemical Property Profile of 2-Methyl-1,5-naphthalene diisocyanate
Property Insights of 2-Methyl-1,5-naphthalene diisocyanate
The XLogP value of 5.1 indicates that 2-Methyl-1,5-naphthalene 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, 2-Methyl-1,5-naphthalene diisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1,5-naphthalene diisocyanate 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 2-Methyl-1,5-naphthalene diisocyanate?
The CAS number of 2-Methyl-1,5-naphthalene diisocyanate is 56775-58-7.
What is the molecular formula of 2-Methyl-1,5-naphthalene diisocyanate?
The molecular formula of 2-Methyl-1,5-naphthalene diisocyanate is C13H8N2O2.
What is the molecular weight of 2-Methyl-1,5-naphthalene diisocyanate?
The molecular weight of 2-Methyl-1,5-naphthalene diisocyanate is 224.06 g/mol.
Where can I buy 2-Methyl-1,5-naphthalene diisocyanate?
You can request a quote for 2-Methyl-1,5-naphthalene diisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,5-naphthalene diisocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,5-naphthalene diisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.