1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene
TL;DR: 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene (CAS 116233-16-0) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,4,4,6-pentamethyl-7-nitro-2,3-dihydronaphthalene
Also Known As: 1,1,4,4,6-pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene, 1,1,4,4,6-pentamethyl-7-nitro-2,3-dihydronaphthalene, Naphthalene, 1,2,3,4-tetrahydro-1,1,4,4,6-pentamethyl-7-nitro-, 2-methyl-3-nitro-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl naphthalene
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 116233-16-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1[N+](=O)[O-])C(CCC2(C)C)(C)C |
| InChIKey | KUXVNYLIMHYPOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene (CAS 116233-16-0), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: 1,1,4,4,6-pentamethyl-7-nitro-2,3-dihydronaphthalene.
Chemical Property Profile of 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene
Property Insights of 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene
The XLogP value of 5.2 indicates that 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene?
The CAS number of 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene is 116233-16-0.
What is the molecular formula of 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene?
The molecular formula of 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene is C15H21NO2.
What is the molecular weight of 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene?
The molecular weight of 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene is 247.16 g/mol.
Where can I buy 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene?
You can request a quote for 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1,1,4,4,6-Pentamethyl-7-nitro-1,2,3,4-tetrahydronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.