alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide
TL;DR: alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide (CAS 81254-03-7) is a chemical compound with molecular formula C18H20BrN3O3 and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide;hydrobromide
Also Known As: alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide, 1H-Benz(de)isoquinoline-2(3H)-hexanamide, alpha-amino-1,3-dioxo-, monohydrobromide, 2-amino-6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide hydrobromide, 2-amino-6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide,hydrobromide, Alpha-AMINO-1,3-DIOXO-1H-BENZ[DE]ISOQUINOLINE-2(3H)-HEXANAMIDE MONOHBR
| Molecular Formula | C18H20BrN3O3 |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 1.9966 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.0688 |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 81254-03-7 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCC(C(=O)N)N.Br |
| InChIKey | KYMWSCRLKSKFAG-UHFFFAOYSA-N |
Product Overview
alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide (CAS 81254-03-7), with molecular formula C18H20BrN3O3 and molecular weight 405.07 g/mol. IUPAC: 2-amino-6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide;hydrobromide.
Chemical Property Profile of alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide
Property Insights of alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide
The XLogP value of 1.9966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide. Following Lipinski's Rule of Five, alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide has 3 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 alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide?
The CAS number of alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide is 81254-03-7.
What is the molecular formula of alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide?
The molecular formula of alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide is C18H20BrN3O3.
What is the molecular weight of alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide?
The molecular weight of alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide is 405.07 g/mol.
Where can I buy alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide?
You can request a quote for alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for alpha-Amino-1,3-dioxo-1H-benz(de)isoquinoline-2(3H)-hexanamide monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.