BAS 06901338
TL;DR: BAS 06901338 (CAS 625377-41-5) is a chemical compound with molecular formula C22H22F3N3OS and molecular weight 433.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: BAS 06901338, 6-(tert-butyl)-2-({2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}sulfanyl)-4-(trifluoromethyl)nicotinonitrile, AM-807/41463562, 6-tert-butyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-tert-butyl-2-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C22H22F3N3OS |
|---|---|
| Molecular Weight | 433.14 g/mol |
| LogP | 4.94658 |
| Topological Polar Surface Area | 56.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.14355 |
| Heavy Atoms | 30 |
| Complexity | 1006.1532 |
Chemical Identifiers
| CAS Number | 625377-41-5 |
|---|---|
| SMILES | CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
BAS 06901338 (CAS 625377-41-5), with molecular formula C22H22F3N3OS and molecular weight 433.14 g/mol. IUPAC: 6-tert-butyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of BAS 06901338
Property Insights of BAS 06901338
The XLogP value of 4.94658 indicates that BAS 06901338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.99 Ų, BAS 06901338 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06901338 has 0 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 BAS 06901338?
The CAS number of BAS 06901338 is 625377-41-5.
What is the molecular formula of BAS 06901338?
The molecular formula of BAS 06901338 is C22H22F3N3OS.
What is the molecular weight of BAS 06901338?
The molecular weight of BAS 06901338 is 433.14 g/mol.
Where can I buy BAS 06901338?
You can request a quote for BAS 06901338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06901338?
Yes, KEHONG BIO provides custom synthesis services for BAS 06901338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.