5N-748
TL;DR: 5N-748 (CAS 318517-24-7) is a chemical compound with molecular formula C19H29N3OS and molecular weight 347.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-(tert-butylcarbamothioyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: 5N-748, N-(tert-butyl)-2-[(tert-butylamino)carbothioyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide, N-tert-butyl-2-(tert-butylcarbamothioyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide, N-tert-butyl-2-(tert-butylcarbamothioyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, N-tert-butyl-2-(tert-butylthiocarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
| Molecular Formula | C19H29N3OS |
|---|---|
| Molecular Weight | 347.20 g/mol |
| LogP | 3.001 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.20312 |
| Heavy Atoms | 24 |
| Complexity | 573.23444 |
Chemical Identifiers
| CAS Number | 318517-24-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=S)NC(C)(C)C |
Product Overview
5N-748 (CAS 318517-24-7), with molecular formula C19H29N3OS and molecular weight 347.20 g/mol. IUPAC: N-tert-butyl-2-(tert-butylcarbamothioyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of 5N-748
Property Insights of 5N-748
The XLogP value of 3.001 indicates that 5N-748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, 5N-748 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5N-748 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 5N-748?
The CAS number of 5N-748 is 318517-24-7.
What is the molecular formula of 5N-748?
The molecular formula of 5N-748 is C19H29N3OS.
What is the molecular weight of 5N-748?
The molecular weight of 5N-748 is 347.20 g/mol.
Where can I buy 5N-748?
You can request a quote for 5N-748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-748?
Yes, KEHONG BIO provides custom synthesis services for 5N-748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.