RefChem:1075267
TL;DR: RefChem:1075267 (CAS 54183-96-9) is a chemical compound with molecular formula C24H27N3O6 and molecular weight 453.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide
Also Known As: Acetamide, 2-(methylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide
| Molecular Formula | C24H27N3O6 |
|---|---|
| Molecular Weight | 453.19 g/mol |
| LogP | 2.0531 |
| Topological Polar Surface Area | 144.83 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.18997 |
| Heavy Atoms | 33 |
| Complexity | 1044.1241 |
Chemical Identifiers
| CAS Number | 54183-96-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)NC(=O)CNC)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1075267 (CAS 54183-96-9), with molecular formula C24H27N3O6 and molecular weight 453.19 g/mol. IUPAC: (E)-but-2-enedioic acid;N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]-2-(methylamino)acetamide.
Chemical Property Profile of RefChem:1075267
Property Insights of RefChem:1075267
The XLogP value of 2.0531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075267. The TPSA of 144.83 Ų indicates high polarity, suggesting RefChem:1075267 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1075267 has 5 hydrogen bond donor(s) and 5 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:1075267?
The CAS number of RefChem:1075267 is 54183-96-9.
What is the molecular formula of RefChem:1075267?
The molecular formula of RefChem:1075267 is C24H27N3O6.
What is the molecular weight of RefChem:1075267?
The molecular weight of RefChem:1075267 is 453.19 g/mol.
Where can I buy RefChem:1075267?
You can request a quote for RefChem:1075267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075267?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.