BAS 06901193
TL;DR: BAS 06901193 (CAS 625377-45-9) is a chemical compound with molecular formula C13H11F3N2O2S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: BAS 06901193, methyl 2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate, 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester, Methyl 2-((3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl)thio)acetate, methyl 2-{[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
| Molecular Formula | C13H11F3N2O2S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.04935 |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 625377-45-9 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(=CC(=N1)C2CC2)C(F)(F)F)C#N |
| InChIKey | OEVFMFILPWISDE-UHFFFAOYSA-N |
Product Overview
BAS 06901193 (CAS 625377-45-9), with molecular formula C13H11F3N2O2S and molecular weight 316.05 g/mol. IUPAC: methyl 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of BAS 06901193
Property Insights of BAS 06901193
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 06901193. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06901193. Following Lipinski's Rule of Five, BAS 06901193 has 0 hydrogen bond donor(s) and 8 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 06901193?
The CAS number of BAS 06901193 is 625377-45-9.
What is the molecular formula of BAS 06901193?
The molecular formula of BAS 06901193 is C13H11F3N2O2S.
What is the molecular weight of BAS 06901193?
The molecular weight of BAS 06901193 is 316.05 g/mol.
Where can I buy BAS 06901193?
You can request a quote for BAS 06901193 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06901193?
Yes, KEHONG BIO provides custom synthesis services for BAS 06901193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.