BAS 06901336
TL;DR: BAS 06901336 (CAS 625376-89-8) is a chemical compound with molecular formula C17H15F3N2O2S2 and molecular weight 400.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoate
Also Known As: BAS 06901336, AM-807/41462600, ethyl 4-((3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl)thio)butanoate, ethyl 4-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate, ethyl 4-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}butanoate
| Molecular Formula | C17H15F3N2O2S2 |
|---|---|
| Molecular Weight | 400.05 g/mol |
| LogP | 5.13598 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.0527 |
| Heavy Atoms | 26 |
| Complexity | 799.5698 |
Chemical Identifiers
| CAS Number | 625376-89-8 |
|---|---|
| SMILES | CCOC(=O)CCCSC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N |
Product Overview
BAS 06901336 (CAS 625376-89-8), with molecular formula C17H15F3N2O2S2 and molecular weight 400.05 g/mol. IUPAC: ethyl 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoate.
Chemical Property Profile of BAS 06901336
Property Insights of BAS 06901336
The XLogP value of 5.13598 indicates that BAS 06901336 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06901336. Following Lipinski's Rule of Five, BAS 06901336 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 06901336?
The CAS number of BAS 06901336 is 625376-89-8.
What is the molecular formula of BAS 06901336?
The molecular formula of BAS 06901336 is C17H15F3N2O2S2.
What is the molecular weight of BAS 06901336?
The molecular weight of BAS 06901336 is 400.05 g/mol.
Where can I buy BAS 06901336?
You can request a quote for BAS 06901336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06901336?
Yes, KEHONG BIO provides custom synthesis services for BAS 06901336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.