双溴丙基哌嗪
TL;DR: 双溴丙基哌嗪 (CAS 54-91-1) is a chemical compound with molecular formula C10H16Br2N2O2 and molecular weight 353.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双溴丙基哌嗪
3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one
Also Known As: pipobroman, Vercyte, Amedel, Pipobromanum, 1,1'-(Piperazine-1,4-diyl)bis(3-bromopropan-1-one)
| Molecular Formula | C10H16Br2N2O2 |
|---|---|
| Molecular Weight | 353.96 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.9558 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
| Melting Point | > 300 °C |
| Solubility | 2490 |
Chemical Identifiers
| CAS Number | 54-91-1 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CCBr)C(=O)CCBr |
| InChIKey | NJBFOOCLYDNZJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双溴丙基哌嗪 (CAS 54-91-1), with molecular formula C10H16Br2N2O2 and molecular weight 353.96 g/mol. IUPAC: 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one.
Chemical Property Profile of 双溴丙基哌嗪
Property Insights of 双溴丙基哌嗪
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双溴丙基哌嗪. With a topological polar surface area (TPSA) of 40.6 Ų, 双溴丙基哌嗪 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双溴丙基哌嗪 has 0 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 双溴丙基哌嗪?
The CAS number of 双溴丙基哌嗪 is 54-91-1.
What is the molecular formula of 双溴丙基哌嗪?
The molecular formula of 双溴丙基哌嗪 is C10H16Br2N2O2.
What is the molecular weight of 双溴丙基哌嗪?
The molecular weight of 双溴丙基哌嗪 is 353.96 g/mol.
Where can I buy 双溴丙基哌嗪?
You can request a quote for 双溴丙基哌嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双溴丙基哌嗪?
Yes, KEHONG BIO provides custom synthesis services for 双溴丙基哌嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.