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Ethyl isostearate structure
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Ethyl isostearate

TL;DR: Ethyl isostearate (CAS 158760-40-8) is a chemical compound with molecular formula C20H40O2 and molecular weight 312.30283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

ethyl 16-methylheptadecanoate

Also Known As: Ethyl isostearate, Kak-eis, Eis-v, RB-K, Ethyl isostearate [INCI]

CAS Number
158760-40-8
Molecular Formula
C20H40O2
Molecular Weight
312.30283 g/mol
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Technical Specifications

Molecular FormulaC20H40O2
Molecular Weight312.30283 g/mol
XLogP8.6
Topological Polar Surface Area (TPSA)26.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors2
Rotatable Bonds17
Exact Mass312.30283 Da
Heavy Atoms22
Complexity236.0
SMILESCCOC(=O)CCCCCCCCCCCCCCC(C)C
InChIKeyDMMXZLMYEUEJFT-UHFFFAOYSA-N

Chemical Property Profile of Ethyl isostearate

XLogP
8.6
TPSA (Topological Polar Surface Area)
26.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
17
Heavy Atoms
22
Complexity
236.0
Exact Mass
312.30283
Monoisotopic Mass
312.30283
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 Ethyl isostearate

The XLogP value of 8.6 indicates that Ethyl isostearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl isostearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isostearate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Ethyl isostearate?

The CAS number of Ethyl isostearate is 158760-40-8.

What is the molecular formula of Ethyl isostearate?

The molecular formula of Ethyl isostearate is C20H40O2.

What is the molecular weight of Ethyl isostearate?

The molecular weight of Ethyl isostearate is 312.30283 g/mol.

Where can I buy Ethyl isostearate?

You can request a quote for Ethyl isostearate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Ethyl isostearate?

Yes, CoreyChem provides custom synthesis services for Ethyl isostearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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