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Agroskerin structure
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Agroskerin

TL;DR: Agroskerin (CAS 114076-69-6) is a chemical compound with molecular formula C20H30O3 and molecular weight 318.21948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(1R,2Z,5S,6Z,9Z,14R)-5,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,9-trien-4-one

Also Known As: Agroskerin, (1R,5Z,8Z,10S,12Z,14R)-4,10-dihydroxy-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,8,12-trien-11-one

CAS Number
114076-69-6
Molecular Formula
C20H30O3
Molecular Weight
318.21948 g/mol
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Technical Specifications

Molecular FormulaC20H30O3
Molecular Weight318.21948 g/mol
XLogP3.2
Topological Polar Surface Area (TPSA)57.5 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors3
Rotatable Bonds0
Exact Mass318.21948 Da
Heavy Atoms23
Complexity567.0
SMILESC/C/1=C/[C@@H](C(=O)/C(=C\[C@@H]2[C@H](C2(C)C)CCC(/C=C\C1)(C)O)/C)O
InChIKeyDGENOXRJSTZHMV-XBLVRJISSA-N

Chemical Property Profile of Agroskerin

XLogP
3.2
TPSA (Topological Polar Surface Area)
57.5
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
23
Complexity
567.0
Exact Mass
318.21948
Monoisotopic Mass
318.21948
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 Agroskerin

The XLogP value of 3.2 indicates that Agroskerin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Agroskerin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Agroskerin has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Agroskerin?

The CAS number of Agroskerin is 114076-69-6.

What is the molecular formula of Agroskerin?

The molecular formula of Agroskerin is C20H30O3.

What is the molecular weight of Agroskerin?

The molecular weight of Agroskerin is 318.21948 g/mol.

Where can I buy Agroskerin?

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

Does CoreyChem offer custom synthesis for Agroskerin?

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

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