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4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine structure
Fine Chemical

4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine

TL;DR: 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine (CAS 153205-19-7) is a chemical compound with molecular formula C14H25NO and molecular weight 223.19362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5,5,8,8-tetramethyl-11-oxa-10-azatricyclo[7.2.1.01,6]dodecane

Also Known As: 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine

CAS Number
153205-19-7
Molecular Formula
C14H25NO
Molecular Weight
223.19362 g/mol
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Technical Specifications

Molecular FormulaC14H25NO
Molecular Weight223.19362 g/mol
XLogP3.7
Topological Polar Surface Area (TPSA)21.3 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors2
Rotatable Bonds0
Exact Mass223.19362 Da
Heavy Atoms16
Complexity310.0
SMILESCC1(CCCC23C1CC(C(C2)NO3)(C)C)C
InChIKeyOPYNEUZSJRBYKN-UHFFFAOYSA-N

Chemical Property Profile of 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine

XLogP
3.7
TPSA (Topological Polar Surface Area)
21.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
16
Complexity
310.0
Exact Mass
223.19362
Monoisotopic Mass
223.19362
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine

The XLogP value of 3.7 indicates that 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine?

The CAS number of 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine is 153205-19-7.

What is the molecular formula of 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine?

The molecular formula of 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine is C14H25NO.

What is the molecular weight of 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine?

The molecular weight of 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine is 223.19362 g/mol.

Where can I buy 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine?

You can request a quote for 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine?

Yes, CoreyChem provides custom synthesis services for 4,4,6,6-tetramethyloctahydro-2H-3,9a-methanobenzo[f][1,2]oxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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