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Azulene, 1-methyl-5-(1-methylethyl)- structure
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Azulene, 1-methyl-5-(1-methylethyl)-

TL;DR: Azulene, 1-methyl-5-(1-methylethyl)- (CAS 113540-51-5) is a chemical compound with molecular formula C14H16 and molecular weight 184.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-methyl-5-propan-2-ylazulene

Also Known As: 5-isopropyl-1-methyl-azulene, Azulene, 1-methyl-5-(1-methylethyl)-, 1-methyl-5-propan-2-ylazulene, 1-methyl-5-propan-2-yl-azulene, 1-Methyl-5-(propan-2-yl)azulene

CAS Number
113540-51-5
Molecular Formula
C14H16
Molecular Weight
184.1252 g/mol
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Technical Specifications

Molecular FormulaC14H16
Molecular Weight184.1252 g/mol
XLogP4.4
Topological Polar Surface Area (TPSA)0.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors0
Rotatable Bonds1
Exact Mass184.1252 Da
Heavy Atoms14
Complexity182.0
SMILESCC1=CC=C2C1=CC=CC(=C2)C(C)C
InChIKeyWMTFUXVIGMHHKL-UHFFFAOYSA-N

Chemical Property Profile of Azulene, 1-methyl-5-(1-methylethyl)-

XLogP
4.4
TPSA (Topological Polar Surface Area)
0.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
Rotatable Bonds
1
Heavy Atoms
14
Complexity
182.0
Exact Mass
184.1252
Monoisotopic Mass
184.1252
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 Azulene, 1-methyl-5-(1-methylethyl)-

The XLogP value of 4.4 indicates that Azulene, 1-methyl-5-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Azulene, 1-methyl-5-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azulene, 1-methyl-5-(1-methylethyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Azulene, 1-methyl-5-(1-methylethyl)-?

The CAS number of Azulene, 1-methyl-5-(1-methylethyl)- is 113540-51-5.

What is the molecular formula of Azulene, 1-methyl-5-(1-methylethyl)-?

The molecular formula of Azulene, 1-methyl-5-(1-methylethyl)- is C14H16.

What is the molecular weight of Azulene, 1-methyl-5-(1-methylethyl)-?

The molecular weight of Azulene, 1-methyl-5-(1-methylethyl)- is 184.1252 g/mol.

Where can I buy Azulene, 1-methyl-5-(1-methylethyl)-?

You can request a quote for Azulene, 1-methyl-5-(1-methylethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Azulene, 1-methyl-5-(1-methylethyl)-?

Yes, CoreyChem provides custom synthesis services for Azulene, 1-methyl-5-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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