RefChem:305691
TL;DR: RefChem:305691 (CAS 54971-36-7) is a chemical compound with molecular formula C21H23BrN2O3 and molecular weight 430.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide
Also Known As: 5H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 6,7,9,10-tetrahydro-12,13-dimethoxy-7-ethyl-6-oxo-, bromide, 7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide, RefChem:305691
| Molecular Formula | C21H23BrN2O3 |
|---|---|
| Molecular Weight | 430.09 g/mol |
| LogP | -0.16 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.0892 |
| Heavy Atoms | 27 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 54971-36-7 |
|---|---|
| SMILES | CCC1C(=O)NC2=CC=CC=C2C3=[N+]1CCC4=CC(=C(C=C43)OC)OC.[Br-] |
| InChIKey | PJQKUXJLYYANJH-UHFFFAOYSA-N |
Product Overview
RefChem:305691 (CAS 54971-36-7), with molecular formula C21H23BrN2O3 and molecular weight 430.09 g/mol. IUPAC: 7-ethyl-12,13-dimethoxy-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide.
Chemical Property Profile of RefChem:305691
Property Insights of RefChem:305691
The XLogP value of -0.16 indicates that RefChem:305691 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.6 Ų, RefChem:305691 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305691 has 1 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 RefChem:305691?
The CAS number of RefChem:305691 is 54971-36-7.
What is the molecular formula of RefChem:305691?
The molecular formula of RefChem:305691 is C21H23BrN2O3.
What is the molecular weight of RefChem:305691?
The molecular weight of RefChem:305691 is 430.09 g/mol.
Where can I buy RefChem:305691?
You can request a quote for RefChem:305691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305691?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.