5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate
TL;DR: 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate (CAS 343962-16-3) is a chemical compound with molecular formula C15H19NO and molecular weight 229.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-isocyanato-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
Also Known As: 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL ISOCYANATE, 6-isocyanato-1,1,4,4-tetramethyl-2,3-dihydronaphthalene, 6-isocyanato-1,1,4,4-tetramethyl-tetralin, J1.495.842H, I14-60102
| Molecular Formula | C15H19NO |
|---|---|
| Molecular Weight | 229.15 g/mol |
| LogP | 4.0029 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.14667 |
| Heavy Atoms | 17 |
| Complexity | 493.6433 |
Chemical Identifiers
| CAS Number | 343962-16-3 |
|---|---|
| SMILES | CC1(CCC(C2=C1C=CC(=C2)N=C=O)(C)C)C |
Product Overview
5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate (CAS 343962-16-3), with molecular formula C15H19NO and molecular weight 229.15 g/mol. IUPAC: 6-isocyanato-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
Chemical Property Profile of 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate
Property Insights of 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate
The XLogP value of 4.0029 indicates that 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate has 0 hydrogen bond donor(s) and 2 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 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate?
The CAS number of 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate is 343962-16-3.
What is the molecular formula of 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate?
The molecular formula of 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate is C15H19NO.
What is the molecular weight of 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate?
The molecular weight of 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate is 229.15 g/mol.
Where can I buy 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate?
You can request a quote for 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.