Bromerguride
TL;DR: Bromerguride (CAS 83455-48-5) is a chemical compound with molecular formula C20H25BrN4O and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6aR,9S)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Also Known As: Bromerguride, Bromergurida, Bromerguridum, 2-bromolisuride, Bromerguridum [Latin]
| Molecular Formula | C20H25BrN4O |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.12115 |
| Heavy Atoms | 26 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 83455-48-5 |
|---|---|
| SMILES | CCN(CC)C(=O)N[C@@H]1CN([C@@H]2CC3=C(NC4=CC=CC(=C34)C2=C1)Br)C |
| InChIKey | SBHNNNRQZGYOAU-YVEFUNNKSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromerguride (CAS 83455-48-5), with molecular formula C20H25BrN4O and molecular weight 416.12 g/mol. IUPAC: 3-[(6aR,9S)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea.
Chemical Property Profile of Bromerguride
Property Insights of Bromerguride
The XLogP value of 3.7 indicates that Bromerguride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.4 Ų, Bromerguride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromerguride 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 Bromerguride?
The CAS number of Bromerguride is 83455-48-5.
What is the molecular formula of Bromerguride?
The molecular formula of Bromerguride is C20H25BrN4O.
What is the molecular weight of Bromerguride?
The molecular weight of Bromerguride is 416.12 g/mol.
Where can I buy Bromerguride?
You can request a quote for Bromerguride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromerguride?
Yes, KEHONG BIO provides custom synthesis services for Bromerguride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.