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Culpin structure
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Culpin

TL;DR: Culpin (CAS 125213-21-0) is a chemical compound with molecular formula C16H18O2 and molecular weight 242.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-(3-methylbut-2-enyl)-5-(3-methylbut-3-en-1-ynyl)benzene-1,4-diol

Also Known As: Culpin, 2-(3-methylbut-2-enyl)-5-(3-methylbut-3-en-1-ynyl)benzene-1,4-diol, 2-(3-Methyl-2-butenyl)-5-(3-methyl-3-buten-1-ynyl)-1,4-benzenediol, J2.657.749G, 2-(3-METHYLBUT-2-EN-1-YL)-5-(3-METHYLBUT-3-EN-1-YN-1-YL)BENZENE-1,4-DIOL

CAS Number
125213-21-0
Molecular Formula
C16H18O2
Molecular Weight
242.13068 g/mol
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Application Areas

Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.

Organic Building Blocks (1 patents)

Technical Specifications

Molecular FormulaC16H18O2
Molecular Weight242.13068 g/mol
XLogP4.9
Topological Polar Surface Area (TPSA)40.5 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors2
Rotatable Bonds4
Exact Mass242.13068 Da
Heavy Atoms18
Complexity390.0
SMILESCC(=CCC1=CC(=C(C=C1O)C#CC(=C)C)O)C
InChIKeyQMYWKFZKRYCUMA-UHFFFAOYSA-N

Chemical Property Profile of Culpin

XLogP
4.9
TPSA (Topological Polar Surface Area)
40.5
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
Rotatable Bonds
4
Heavy Atoms
18
Complexity
390.0
Exact Mass
242.13068
Monoisotopic Mass
242.13068
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 Culpin

The XLogP value of 4.9 indicates that Culpin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Culpin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Culpin has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Culpin?

The CAS number of Culpin is 125213-21-0.

What is the molecular formula of Culpin?

The molecular formula of Culpin is C16H18O2.

What is the molecular weight of Culpin?

The molecular weight of Culpin is 242.13068 g/mol.

Where can I buy Culpin?

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

Does CoreyChem offer custom synthesis for Culpin?

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

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