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2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride structure
Fine Chemical

2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride

TL;DR: 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride (CAS 1052518-57-6) is a chemical compound with molecular formula C17H27ClN2O and molecular weight 310.18118 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-(2-bicyclo[2.2.1]hept-5-enyl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol;hydrochloride

Also Known As: 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride, 2-(5-bicyclo[2.2.1]hept-2-enyl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride, REGID_for_CID_6602737

CAS Number
1052518-57-6
Molecular Formula
C17H27ClN2O
Molecular Weight
310.18118 g/mol
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Technical Specifications

Molecular FormulaC17H27ClN2O
Molecular Weight310.18118 g/mol
XLogP1.6222
Topological Polar Surface Area (TPSA)26.7 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors3
Rotatable Bonds3
Exact Mass310.18118 Da
Heavy Atoms21
Complexity452.0
SMILESCC(C#CCN1CCN(CC1)C)(C2CC3CC2C=C3)O.Cl
InChIKeyGYSAEWPATNFZQW-UHFFFAOYSA-N

Chemical Property Profile of 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride

XLogP
1.6222
TPSA (Topological Polar Surface Area)
26.7
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
21
Complexity
452.0
Exact Mass
310.18118
Monoisotopic Mass
310.18118
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 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride

The XLogP value of 1.6222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride. With a topological polar surface area (TPSA) of 26.7 Ų, 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride 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 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride?

The CAS number of 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride is 1052518-57-6.

What is the molecular formula of 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride?

The molecular formula of 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride is C17H27ClN2O.

What is the molecular weight of 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride?

The molecular weight of 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride is 310.18118 g/mol.

Where can I buy 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride?

You can request a quote for 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride?

Yes, CoreyChem provides custom synthesis services for 2-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(4-methylpiperazin-1-yl)pent-3-yn-2-ol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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