RefChem:1075276
TL;DR: RefChem:1075276 (CAS 54183-98-1) is a chemical compound with molecular formula C23H25N3O6 and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]acetamide;(E)-but-2-enedioic acid
Also Known As: 1-(4'-(Aminoacetyl)amino)phenyl-4,4-dimethyl-3-oxo-tetrahydroisoquinoline maleate, Acetamide, 2-amino-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-, (Z)-2-butenedioate (1:1), ACETAMIDE,2-AMINO-N-(4-(1,2,3,4-TETRAHYDRO-4,4-DIMETHYL-3-OXO-1-ISOQUINOLINYL)PHENYL)-,(Z)-2-BUTENEDIOATE, 2-amino-N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]acetamide; (E)-but-2-enedioic acid
| Molecular Formula | C23H25N3O6 |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | 1.7924 |
| Topological Polar Surface Area | 158.82 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.17435 |
| Heavy Atoms | 32 |
| Complexity | 1027.9521 |
Chemical Identifiers
| CAS Number | 54183-98-1 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)NC(=O)CN)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1075276 (CAS 54183-98-1), with molecular formula C23H25N3O6 and molecular weight 439.17 g/mol. IUPAC: 2-amino-N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]acetamide;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1075276
Property Insights of RefChem:1075276
The XLogP value of 1.7924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1075276. The TPSA of 158.82 Ų indicates high polarity, suggesting RefChem:1075276 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1075276 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:1075276?
The CAS number of RefChem:1075276 is 54183-98-1.
What is the molecular formula of RefChem:1075276?
The molecular formula of RefChem:1075276 is C23H25N3O6.
What is the molecular weight of RefChem:1075276?
The molecular weight of RefChem:1075276 is 439.17 g/mol.
Where can I buy RefChem:1075276?
You can request a quote for RefChem:1075276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075276?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.