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3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] structure
Fine Chemical

3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]

TL;DR: 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] (CAS 120617-58-5) is a chemical compound with molecular formula C29H34N2O and molecular weight 426.26712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3',3'-dimethyl-1'-octylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]

Also Known As: BAS 00398918, 3,3-dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine], 3',3'-dimethyl-1'-octylspiro[benzo[f][1,4]benzoxazine-3,2'-indole], 3,3-dimethyl-1-octylspiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]

CAS Number
120617-58-5
Molecular Formula
C29H34N2O
Molecular Weight
426.26712 g/mol
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Technical Specifications

Molecular FormulaC29H34N2O
Molecular Weight426.26712 g/mol
XLogP8.5
Topological Polar Surface Area (TPSA)24.8 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors3
Rotatable Bonds7
Exact Mass426.26712 Da
Heavy Atoms32
Complexity660.0
SMILESCCCCCCCCN1C2=CC=CC=C2C(C13C=NC4=C(O3)C=CC5=CC=CC=C54)(C)C
InChIKeyREKLLOKKSPBPBZ-UHFFFAOYSA-N

Chemical Property Profile of 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]

XLogP
8.5
TPSA (Topological Polar Surface Area)
24.8
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
Rotatable Bonds
7
Heavy Atoms
32
Complexity
660.0
Exact Mass
426.26712
Monoisotopic Mass
426.26712
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 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]

The XLogP value of 8.5 indicates that 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.8 Ų, 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]?

The CAS number of 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] is 120617-58-5.

What is the molecular formula of 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]?

The molecular formula of 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] is C29H34N2O.

What is the molecular weight of 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]?

The molecular weight of 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] is 426.26712 g/mol.

Where can I buy 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]?

You can request a quote for 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]?

Yes, CoreyChem provides custom synthesis services for 3,3-Dimethyl-1-octyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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