Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide
TL;DR: Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide (CAS 59177-67-2) is a chemical compound with molecular formula C16H29Br3N2 and molecular weight 485.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-bromo-1-adamantyl)methyl]-4-methylpiperazine;dihydrobromide
Also Known As: 4-Brom-1-methyl-5-nitro-1H-imidazol, 2-Bromo-1-(4-methyl-1-piperazinyl)methyladamantane dihydrobromide, 1-[(2-bromo-1-adamantyl)methyl]-4-methylpiperazine dihydrobromide, ADAMANTANE, 2-BROMO-1-(4-METHYL-1-PIPERAZINYL)METHYL-, DIHYDROBROMIDE, 1-[(2-bromo-1-adamantyl)methyl]-4-methylpiperazine,dihydrobr
| Molecular Formula | C16H29Br3N2 |
|---|---|
| Molecular Weight | 485.99 g/mol |
| LogP | 3.98 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 487.98605 |
| Heavy Atoms | 21 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 59177-67-2 |
|---|---|
| SMILES | CN1CCN(CC1)CC23CC4CC(C2)CC(C4)C3Br.Br.Br |
| InChIKey | KETPWUGIGJJRHJ-UHFFFAOYSA-N |
Product Overview
Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide (CAS 59177-67-2), with molecular formula C16H29Br3N2 and molecular weight 485.99 g/mol. IUPAC: 1-[(2-bromo-1-adamantyl)methyl]-4-methylpiperazine;dihydrobromide.
Chemical Property Profile of Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide
Property Insights of Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide
The XLogP value of 3.98 indicates that Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide 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
Frequently Asked Questions
What is the CAS number of Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide?
The CAS number of Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide is 59177-67-2.
What is the molecular formula of Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide?
The molecular formula of Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide is C16H29Br3N2.
What is the molecular weight of Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide?
The molecular weight of Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide is 485.99 g/mol.
Where can I buy Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide?
You can request a quote for Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.