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RefChem:371717 structure
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RefChem:371717

TL;DR: RefChem:371717 (CAS 101975-97-7) is a chemical compound with molecular formula C26H36Br2N2O4 and molecular weight 598.1042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1,4-bis[4-(1,3-benzodioxol-5-yl)butan-2-yl]piperazine;dihydrobromide

Also Known As: F 246, Piperazine, 1,4-bis(3-(1,3-benzodioxol-5-yl)1-methylpropyl)-, dihydrobromide, 1,3-Benzodioxole, 5,5'-(1,4-piperazinylene)bis(3-methyltrimethylene)di-, dihydrobromide, Piperazine, 1,4-bis(1-methyl-3-(3,4-methylenedioxyphenyl)propyl)-, dihydrobromide, 1,4-bis[4-(1,3-benzodioxol-5-yl)butan-2-yl]piperazine dihydrobromide

CAS Number
101975-97-7
Molecular Formula
C26H36Br2N2O4
Molecular Weight
598.1042 g/mol
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Technical Specifications

Molecular FormulaC26H36Br2N2O4
Molecular Weight598.1042 g/mol
XLogP5.2598
Topological Polar Surface Area (TPSA)43.4 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds8
Exact Mass598.1042 Da
Heavy Atoms34
Complexity534.0
SMILESCC(CCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(C)CCC4=CC5=C(C=C4)OCO5.Br.Br
InChIKeyPUCWMGANVISNQP-UHFFFAOYSA-N

Product Description

Applications: RefChem:371717 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

RefChem:371717 is a fine chemical identified by CAS number 101975-97-7 and the molecular formula C26H36Br2N2O4 and a molecular weight of 598.1 g/mol. Synonyms include F 246 and Piperazine, 1,4-bis(3-(1,3-benzodioxol-5-yl)1-methylpropyl)-, dihydrobromide.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of RefChem:371717

XLogP
5.2598
TPSA (Topological Polar Surface Area)
43.4
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
8
Heavy Atoms
34
Complexity
534.0
Exact Mass
598.1042
Monoisotopic Mass
598.1042
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 RefChem:371717

The XLogP value of 5.2598 indicates that RefChem:371717 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, RefChem:371717 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:371717 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of RefChem:371717?

The CAS number of RefChem:371717 is 101975-97-7.

What is the molecular formula of RefChem:371717?

The molecular formula of RefChem:371717 is C26H36Br2N2O4.

What is the molecular weight of RefChem:371717?

The molecular weight of RefChem:371717 is 598.1042 g/mol.

What are the applications of RefChem:371717?

RefChem:371717 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Where can I buy RefChem:371717?

You can request a quote for RefChem:371717 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:371717?

Yes, CoreyChem provides custom synthesis services for RefChem:371717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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