RefChem:371717
TL;DR: RefChem:371717 (CAS 101975-97-7) is a chemical compound with molecular formula C26H36Br2N2O4 and molecular weight 598.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C26H36Br2N2O4 |
|---|---|
| Molecular Weight | 598.10 g/mol |
| LogP | 5.2598 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 598.1042 |
| Heavy Atoms | 34 |
| Complexity | 861.5118 |
Chemical Identifiers
| CAS Number | 101975-97-7 |
|---|---|
| SMILES | CC(CCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(C)CCC4=CC5=C(C=C4)OCO5.Br.Br |
Product Overview
RefChem:371717 (CAS 101975-97-7), with molecular formula C26H36Br2N2O4 and molecular weight 598.10 g/mol. IUPAC: 1,4-bis[4-(1,3-benzodioxol-5-yl)butan-2-yl]piperazine;dihydrobromide.
Chemical Property Profile of RefChem:371717
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 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 598.10 g/mol.
Where can I buy RefChem:371717?
You can request a quote for RefChem:371717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371717?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.