tetrabromodiazocyclopentadiene
TL;DR: tetrabromodiazocyclopentadiene (CAS 4664-17-9) is a chemical compound with molecular formula C23H28ClN3O3 and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5S)-5-(4-ethoxyphenyl)-1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
Also Known As: tetrabromodiazocyclopentadiene, C23H27N3O3.ClH.1/2H2O, C23-H27-N3-O3.Cl-H.1/2H2-O, Piperazine, 1-((2-(4-ethoxyphenyl)-5-oxo-1-phenyl-3-pyrrolidinyl)carbonyl)-, trans-, hydrochloride, hydrate (2:2:1), (4s,5s)-5-(4-ethoxyphenyl)-1-phenyl-4-(piperazin-1-ylcarbonyl)pyrrolidin-2-one hydrochloride(1:1)
| Molecular Formula | C23H28ClN3O3 |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 3.0331 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.18192 |
| Heavy Atoms | 30 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 4664-17-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)[C@@H]2[C@H](CC(=O)N2C3=CC=CC=C3)C(=O)N4CCNCC4.Cl |
| InChIKey | OQHQTNNFTBXQPU-IKGOIYPNSA-N |
Product Overview
tetrabromodiazocyclopentadiene (CAS 4664-17-9), with molecular formula C23H28ClN3O3 and molecular weight 429.18 g/mol. IUPAC: (4S,5S)-5-(4-ethoxyphenyl)-1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride.
Chemical Property Profile of tetrabromodiazocyclopentadiene
Property Insights of tetrabromodiazocyclopentadiene
The XLogP value of 3.0331 indicates that tetrabromodiazocyclopentadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for tetrabromodiazocyclopentadiene. Following Lipinski's Rule of Five, tetrabromodiazocyclopentadiene has 2 hydrogen bond donor(s) and 4 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 tetrabromodiazocyclopentadiene?
The CAS number of tetrabromodiazocyclopentadiene is 4664-17-9.
What is the molecular formula of tetrabromodiazocyclopentadiene?
The molecular formula of tetrabromodiazocyclopentadiene is C23H28ClN3O3.
What is the molecular weight of tetrabromodiazocyclopentadiene?
The molecular weight of tetrabromodiazocyclopentadiene is 429.18 g/mol.
Where can I buy tetrabromodiazocyclopentadiene?
You can request a quote for tetrabromodiazocyclopentadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tetrabromodiazocyclopentadiene?
Yes, KEHONG BIO provides custom synthesis services for tetrabromodiazocyclopentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.