BAS 06901187
TL;DR: BAS 06901187 (CAS 625377-40-4) is a chemical compound with molecular formula C20H17F3N2O3S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: BAS 06901187, AM-807/41463558, 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-((2-(benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-6-(tert-butyl)-4-(trifluoromethyl)nicotinonitrile
| Molecular Formula | C20H17F3N2O3S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.97328 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.0912 |
| Heavy Atoms | 29 |
| Complexity | 1007.74194 |
Chemical Identifiers
| CAS Number | 625377-40-4 |
|---|---|
| SMILES | CC(C)(C)C1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
BAS 06901187 (CAS 625377-40-4), with molecular formula C20H17F3N2O3S and molecular weight 422.09 g/mol. IUPAC: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-6-tert-butyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of BAS 06901187
Property Insights of BAS 06901187
The XLogP value of 4.97328 indicates that BAS 06901187 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 06901187. Following Lipinski's Rule of Five, BAS 06901187 has 0 hydrogen bond donor(s) and 6 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 06901187?
The CAS number of BAS 06901187 is 625377-40-4.
What is the molecular formula of BAS 06901187?
The molecular formula of BAS 06901187 is C20H17F3N2O3S.
What is the molecular weight of BAS 06901187?
The molecular weight of BAS 06901187 is 422.09 g/mol.
Where can I buy BAS 06901187?
You can request a quote for BAS 06901187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06901187?
Yes, KEHONG BIO provides custom synthesis services for BAS 06901187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.