2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide
TL;DR: 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide (CAS 54087-50-2) is a chemical compound with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]acetamide
Also Known As: 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide, Acetamide, 2-(butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)-, ACETAMIDE,2-(BUTYLAMINO)-N-(4-(1,2,3,4-TETRAHYDRO-4,4-DIMETHYL-3-OXO-1-ISOQUINOLINYL)PHENYL)-, 2-(butylamino)-N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]acetamide, N~2~-Butyl-N-[4-(3-hydroxy-4,4-dimethyl-1,4-dihydroisoquinolin-1-yl)phenyl]glycinamide
| Molecular Formula | C23H29N3O2 |
|---|---|
| Molecular Weight | 379.23 g/mol |
| LogP | 3.5116 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.22598 |
| Heavy Atoms | 28 |
| Complexity | 843.18085 |
Chemical Identifiers
| CAS Number | 54087-50-2 |
|---|---|
| SMILES | CCCCNCC(=O)NC1=CC=C(C=C1)C2C3=CC=CC=C3C(C(=O)N2)(C)C |
Product Overview
2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide (CAS 54087-50-2), with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol. IUPAC: 2-(butylamino)-N-[4-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-1-yl)phenyl]acetamide.
Chemical Property Profile of 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide
Property Insights of 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide
The XLogP value of 3.5116 indicates that 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide has 3 hydrogen bond donor(s) and 3 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 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide?
The CAS number of 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide is 54087-50-2.
What is the molecular formula of 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide?
The molecular formula of 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide is C23H29N3O2.
What is the molecular weight of 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide?
The molecular weight of 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide is 379.23 g/mol.
Where can I buy 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide?
You can request a quote for 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylamino)-N-(4-(1,2,3,4-tetrahydro-4,4-dimethyl-3-oxo-1-isoquinolinyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.