N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide
TL;DR: N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide (CAS 318517-18-9) is a chemical compound with molecular formula C17H25N3O2 and molecular weight 303.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-tert-butyl-2-N-ethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
Also Known As: N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide, N3-tert-butyl-N2-ethyl-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide, 5N-713, 3-N-tert-butyl-2-N-ethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide, N-ethyl-N'-tert-butyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
| Molecular Formula | C17H25N3O2 |
|---|---|
| Molecular Weight | 303.19 g/mol |
| LogP | 2.0575 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.19467 |
| Heavy Atoms | 22 |
| Complexity | 563.26764 |
Chemical Identifiers
| CAS Number | 318517-18-9 |
|---|---|
| SMILES | CCNC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)(C)C |
Product Overview
N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide (CAS 318517-18-9), with molecular formula C17H25N3O2 and molecular weight 303.19 g/mol. IUPAC: 3-N-tert-butyl-2-N-ethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide.
Chemical Property Profile of N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide
Property Insights of N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide
The XLogP value of 2.0575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide. Following Lipinski's Rule of Five, N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide has 2 hydrogen bond donor(s) and 2 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 N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide?
The CAS number of N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide is 318517-18-9.
What is the molecular formula of N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide?
The molecular formula of N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide is C17H25N3O2.
What is the molecular weight of N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide?
The molecular weight of N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide is 303.19 g/mol.
Where can I buy N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide?
You can request a quote for N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N~3~-(tert-butyl)-N~2~-ethyl-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.