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Talaromycin E structure
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Talaromycin E

TL;DR: Talaromycin E (CAS 111465-42-0) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(3S,4R,9R)-9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol

Also Known As: Talaromycin E, 1,2-Dioctanoylthiophosphatidylcholine, 9-ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol, (3R,8R,9S)-3-ethyl-9-(hydroxymethyl)-5,11-dioxaspiro[5.5]undecan-8-ol, 1,7-Dioxaspiro(5.5)undecane-3-methanol, 9-ethyl-4-hydroxy-, (3S-(3alpha,4alpha,6alpha(S*)))-

CAS Number
111465-42-0
Molecular Formula
C12H22O4
Molecular Weight
230.15181 g/mol
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Technical Specifications

Molecular FormulaC12H22O4
Molecular Weight230.15181 g/mol
XLogP1.2
Topological Polar Surface Area (TPSA)58.9 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors4
Rotatable Bonds2
Exact Mass230.15181 Da
Heavy Atoms16
Complexity233.0
SMILESCC[C@@H]1CCC2(C[C@H]([C@H](CO2)CO)O)OC1
InChIKeyVDWRKBZMQNPUOB-FBTJUVTCSA-N

Chemical Property Profile of Talaromycin E

XLogP
1.2
TPSA (Topological Polar Surface Area)
58.9
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
16
Complexity
233.0
Exact Mass
230.15181
Monoisotopic Mass
230.15181
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 Talaromycin E

The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Talaromycin E. With a topological polar surface area (TPSA) of 58.9 Ų, Talaromycin E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Talaromycin E has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Talaromycin E?

The CAS number of Talaromycin E is 111465-42-0.

What is the molecular formula of Talaromycin E?

The molecular formula of Talaromycin E is C12H22O4.

What is the molecular weight of Talaromycin E?

The molecular weight of Talaromycin E is 230.15181 g/mol.

Where can I buy Talaromycin E?

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

Does CoreyChem offer custom synthesis for Talaromycin E?

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

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