BAS 06900117
TL;DR: BAS 06900117 (CAS 445266-57-9) is a chemical compound with molecular formula C16H11F3N2O3S2 and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: BAS 06900117, AM-807/13104353, methyl 4-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-oxobutanoate, methyl 4-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate, methyl 4-((3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl)thio)-3-oxobutanoate
| Molecular Formula | C16H11F3N2O3S2 |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 3.92488 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.01633 |
| Heavy Atoms | 26 |
| Complexity | 858.8554 |
Chemical Identifiers
| CAS Number | 445266-57-9 |
|---|---|
| SMILES | COC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C(F)(F)F)C#N |
Product Overview
BAS 06900117 (CAS 445266-57-9), with molecular formula C16H11F3N2O3S2 and molecular weight 400.02 g/mol. IUPAC: methyl 4-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of BAS 06900117
Property Insights of BAS 06900117
The XLogP value of 3.92488 indicates that BAS 06900117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900117. Following Lipinski's Rule of Five, BAS 06900117 has 0 hydrogen bond donor(s) and 7 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 06900117?
The CAS number of BAS 06900117 is 445266-57-9.
What is the molecular formula of BAS 06900117?
The molecular formula of BAS 06900117 is C16H11F3N2O3S2.
What is the molecular weight of BAS 06900117?
The molecular weight of BAS 06900117 is 400.02 g/mol.
Where can I buy BAS 06900117?
You can request a quote for BAS 06900117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900117?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.