1,5-萘二异氰酸酯
TL;DR: 1,5-萘二异氰酸酯 (CAS 3173-72-6) is a chemical compound with molecular formula C12H6N2O2 and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-萘二异氰酸酯
1,5-diisocyanatonaphthalene
Also Known As: 1,5-Diisocyanatonaphthalene, 1,5-Naphthalene diisocyanate, 1,5-Naphthylene diisocyanate, Naphthalene, 1,5-diisocyanato-, 1,5-Naphthyl diisocyanate
| Molecular Formula | C12H6N2O2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.04292 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
| Melting Point | 127.2 °C |
| Boiling Point | 262.8 °C at 760 mmHg |
| Density | Relative density (water = 1): 1.42 |
| Flash Point | 155.0 °C |
| Vapor Pressure | 0.003 mmHg at 23.9 °C |
Chemical Identifiers
| CAS Number | 3173-72-6 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O |
| InChIKey | SBJCUZQNHOLYMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-萘二异氰酸酯 (CAS 3173-72-6), with molecular formula C12H6N2O2 and molecular weight 210.04 g/mol. IUPAC: 1,5-diisocyanatonaphthalene.
Chemical Property Profile of 1,5-萘二异氰酸酯
Property Insights of 1,5-萘二异氰酸酯
The XLogP value of 4.8 indicates that 1,5-萘二异氰酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 1,5-萘二异氰酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-萘二异氰酸酯 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 1,5-萘二异氰酸酯?
The CAS number of 1,5-萘二异氰酸酯 is 3173-72-6.
What is the molecular formula of 1,5-萘二异氰酸酯?
The molecular formula of 1,5-萘二异氰酸酯 is C12H6N2O2.
What is the molecular weight of 1,5-萘二异氰酸酯?
The molecular weight of 1,5-萘二异氰酸酯 is 210.04 g/mol.
Where can I buy 1,5-萘二异氰酸酯?
You can request a quote for 1,5-萘二异氰酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-萘二异氰酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,5-萘二异氰酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.