IFLab1_005633
TL;DR: IFLab1_005633 (CAS 618409-03-3) is a chemical compound with molecular formula C21H22N2O2S and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
Also Known As: IFLab1_005633, IDI1_011036, N-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide, F1396-0178, N-(3-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-4,5-dimethylthiophen-2-yl)furan-2-carboxamide
| Molecular Formula | C21H22N2O2S |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 4.76854 |
| Topological Polar Surface Area | 45.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.1402 |
| Heavy Atoms | 26 |
| Complexity | 927.6466 |
Chemical Identifiers
| CAS Number | 618409-03-3 |
|---|---|
| SMILES | CC1=C(SC(=C1CN2CCC3=CC=CC=C3C2)NC(=O)C4=CC=CO4)C |
Product Overview
IFLab1_005633 (CAS 618409-03-3), with molecular formula C21H22N2O2S and molecular weight 366.14 g/mol. IUPAC: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.
Chemical Property Profile of IFLab1_005633
Property Insights of IFLab1_005633
The XLogP value of 4.76854 indicates that IFLab1_005633 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.48 Ų, IFLab1_005633 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_005633 has 1 hydrogen bond donor(s) and 4 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 IFLab1_005633?
The CAS number of IFLab1_005633 is 618409-03-3.
What is the molecular formula of IFLab1_005633?
The molecular formula of IFLab1_005633 is C21H22N2O2S.
What is the molecular weight of IFLab1_005633?
The molecular weight of IFLab1_005633 is 366.14 g/mol.
Where can I buy IFLab1_005633?
You can request a quote for IFLab1_005633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005633?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.