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epi-alpha-Cadinol structure
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epi-alpha-Cadinol

TL;DR: epi-alpha-Cadinol (CAS 103505-54-0) is a chemical compound with molecular formula C15H26O and molecular weight 222.19836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(1S,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

Also Known As: Cedrelanol, T-Cadinol, tau-Cadinol, epi-alpha-Cadinol, T Cadinol

CAS Number
103505-54-0
Molecular Formula
C15H26O
Molecular Weight
222.19836 g/mol
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Application Areas

Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (6 patents) Organic Building Blocks (2 patents) Pharmaceutical Intermediates (32 patents)

Technical Specifications

Molecular FormulaC15H26O
Molecular Weight222.19836 g/mol
XLogP3.3
Topological Polar Surface Area (TPSA)20.2 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors1
Rotatable Bonds1
Exact Mass222.19836 Da
Heavy Atoms16
Complexity292.0
Melting Point139 - 140 °C
Boiling Point302.00 to 304.00 °C. @ 760.00 mm Hg
SMILESCC1=C[C@H]2[C@@H](CC[C@]([C@@H]2CC1)(C)O)C(C)C
InChIKeyLHYHMMRYTDARSZ-XQLPTFJDSA-N

Chemical Property Profile of epi-alpha-Cadinol

XLogP
3.3
TPSA (Topological Polar Surface Area)
20.2
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
Rotatable Bonds
1
Heavy Atoms
16
Complexity
292.0
Exact Mass
222.19836
Monoisotopic Mass
222.19836
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 epi-alpha-Cadinol

The XLogP value of 3.3 indicates that epi-alpha-Cadinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, epi-alpha-Cadinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, epi-alpha-Cadinol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of epi-alpha-Cadinol?

The CAS number of epi-alpha-Cadinol is 103505-54-0.

What is the molecular formula of epi-alpha-Cadinol?

The molecular formula of epi-alpha-Cadinol is C15H26O.

What is the molecular weight of epi-alpha-Cadinol?

The molecular weight of epi-alpha-Cadinol is 222.19836 g/mol.

Where can I buy epi-alpha-Cadinol?

You can request a quote for epi-alpha-Cadinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for epi-alpha-Cadinol?

Yes, CoreyChem provides custom synthesis services for epi-alpha-Cadinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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