BAS 04819416
TL;DR: BAS 04819416 (CAS 626205-54-7) is a chemical compound with molecular formula C21H17F3N2O2 and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indol-3-yl]-2,2,2-trifluoroethanone
Also Known As: BAS 04819416, 1-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indol-3-yl]-2,2,2-trifluoroethanone, 1-{1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-indol-3-yl}-2,2,2-trifluoroethanone, 2,2,2-TRIFLUORO-1-{1-[2-OXO-2-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHYL]-1H-INDOL-3-YL}ETHAN-1-ONE
| Molecular Formula | C21H17F3N2O2 |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 3.9712 |
| Topological Polar Surface Area | 42.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.1242 |
| Heavy Atoms | 28 |
| Complexity | 1068.9431 |
Chemical Identifiers
| CAS Number | 626205-54-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CN3C=C(C4=CC=CC=C43)C(=O)C(F)(F)F |
Product Overview
BAS 04819416 (CAS 626205-54-7), with molecular formula C21H17F3N2O2 and molecular weight 386.12 g/mol. IUPAC: 1-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indol-3-yl]-2,2,2-trifluoroethanone.
Chemical Property Profile of BAS 04819416
Property Insights of BAS 04819416
The XLogP value of 3.9712 indicates that BAS 04819416 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.31 Ų, BAS 04819416 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04819416 has 0 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 BAS 04819416?
The CAS number of BAS 04819416 is 626205-54-7.
What is the molecular formula of BAS 04819416?
The molecular formula of BAS 04819416 is C21H17F3N2O2.
What is the molecular weight of BAS 04819416?
The molecular weight of BAS 04819416 is 386.12 g/mol.
Where can I buy BAS 04819416?
You can request a quote for BAS 04819416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04819416?
Yes, KEHONG BIO provides custom synthesis services for BAS 04819416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.