3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
TL;DR: 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide (CAS 447416-53-7) is a chemical compound with molecular formula C21H23N3O2 and molecular weight 349.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carboxamide
Also Known As: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- phenylisoquinoline-6-carboxamide (21), 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-isoquinoline-6-carboxamide, 3-(aminomethyl)-2-isobuthyl-1-oxo-4-phenyl-1,2-dihydro-6-isoquinolinecarboxamide, 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
| Molecular Formula | C21H23N3O2 |
|---|---|
| Molecular Weight | 349.18 g/mol |
| LogP | 2.8821 |
| Topological Polar Surface Area | 91.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.17902 |
| Heavy Atoms | 26 |
| Complexity | 1020.8459 |
Chemical Identifiers
| CAS Number | 447416-53-7 |
|---|---|
| SMILES | CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)N)C3=CC=CC=C3)CN |
Product Overview
3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide (CAS 447416-53-7), with molecular formula C21H23N3O2 and molecular weight 349.18 g/mol. IUPAC: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carboxamide.
Chemical Property Profile of 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
Property Insights of 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
The XLogP value of 2.8821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide. The TPSA of 91.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide. Following Lipinski's Rule of Five, 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide has 2 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 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide?
The CAS number of 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide is 447416-53-7.
What is the molecular formula of 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide?
The molecular formula of 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide is C21H23N3O2.
What is the molecular weight of 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide?
The molecular weight of 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide is 349.18 g/mol.
Where can I buy 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide?
You can request a quote for 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.