(2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide
TL;DR: (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide (CAS 1023480-77-4) is a chemical compound with molecular formula C26H28N2O3S and molecular weight 448.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-N-(3-methylbutyl)-1-oxo-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide
Also Known As: (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide, 2-(4-methoxyphenyl)-N-(3-methylbutyl)-1-oxo-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide, N-isopentyl-2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxamide, 2-(4-methoxyphenyl)-N-(3-methylbutyl)-1-oxo-3-(thiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
| Molecular Formula | C26H28N2O3S |
|---|---|
| Molecular Weight | 448.18 g/mol |
| LogP | 5.4043 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.18207 |
| Heavy Atoms | 32 |
| Complexity | 1076.7162 |
Chemical Identifiers
| CAS Number | 1023480-77-4 |
|---|---|
| SMILES | CC(C)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)OC)C4=CSC=C4 |
Product Overview
(2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide (CAS 1023480-77-4), with molecular formula C26H28N2O3S and molecular weight 448.18 g/mol. IUPAC: 2-(4-methoxyphenyl)-N-(3-methylbutyl)-1-oxo-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide.
Chemical Property Profile of (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide
Property Insights of (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide
The XLogP value of 5.4043 indicates that (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide?
The CAS number of (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide is 1023480-77-4.
What is the molecular formula of (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide?
The molecular formula of (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide is C26H28N2O3S.
What is the molecular weight of (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide?
The molecular weight of (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide is 448.18 g/mol.
Where can I buy (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide?
You can request a quote for (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide?
Yes, KEHONG BIO provides custom synthesis services for (2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)(4-2,3,4-trihydroisoquinolyl))-N-(3-methylbutyl)formamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.