BAS 06900740
TL;DR: BAS 06900740 (CAS 445391-39-9) is a chemical compound with molecular formula C21H21F3N2O3S and molecular weight 438.12 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-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: BAS 06900740, AM-807/41128595, 6-tert-butyl-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-[2-(3,4-dimethoxyphenyl)-2-oxoethylthio]-6-(tert-butyl)-4-(trifluoromethyl)p yridine-3-carbonitrile, 6-(tert-butyl)-2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(trifluoromethyl)nicotinonitrile
| Molecular Formula | C21H21F3N2O3S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 5.26178 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.1225 |
| Heavy Atoms | 30 |
| Complexity | 992.702 |
Chemical Identifiers
| CAS Number | 445391-39-9 |
|---|---|
| SMILES | CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C2=CC(=C(C=C2)OC)OC |
Product Overview
BAS 06900740 (CAS 445391-39-9), with molecular formula C21H21F3N2O3S and molecular weight 438.12 g/mol. IUPAC: 6-tert-butyl-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of BAS 06900740
Property Insights of BAS 06900740
The XLogP value of 5.26178 indicates that BAS 06900740 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900740. Following Lipinski's Rule of Five, BAS 06900740 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 06900740?
The CAS number of BAS 06900740 is 445391-39-9.
What is the molecular formula of BAS 06900740?
The molecular formula of BAS 06900740 is C21H21F3N2O3S.
What is the molecular weight of BAS 06900740?
The molecular weight of BAS 06900740 is 438.12 g/mol.
Where can I buy BAS 06900740?
You can request a quote for BAS 06900740 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900740?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900740 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.