BAS 07417920
TL;DR: BAS 07417920 (CAS 329935-51-5) is a chemical compound with molecular formula C14H16F3N3OS and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: BAS 07417920, 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile, 4-methyl-2-(2-morpholin-4-ylethylthio)-6-(trifluoromethyl)pyridine-3-carbonitr ile, 4-methyl-2-(2-morpholinoethylthio)-6-(trifluoromethyl)nicotinonitrile, 4-Methyl-2-(2-morpholin-4-yl-ethylsulfanyl)-6-trifluoromethyl-nicotinonitrile
| Molecular Formula | C14H16F3N3OS |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.09662 |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 329935-51-5 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCCN2CCOCC2)C(F)(F)F |
| InChIKey | SDOFETOHPRCXKT-UHFFFAOYSA-N |
Product Overview
BAS 07417920 (CAS 329935-51-5), with molecular formula C14H16F3N3OS and molecular weight 331.10 g/mol. IUPAC: 4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of BAS 07417920
Property Insights of BAS 07417920
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07417920. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07417920. Following Lipinski's Rule of Five, BAS 07417920 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 07417920?
The CAS number of BAS 07417920 is 329935-51-5.
What is the molecular formula of BAS 07417920?
The molecular formula of BAS 07417920 is C14H16F3N3OS.
What is the molecular weight of BAS 07417920?
The molecular weight of BAS 07417920 is 331.10 g/mol.
Where can I buy BAS 07417920?
You can request a quote for BAS 07417920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07417920?
Yes, KEHONG BIO provides custom synthesis services for BAS 07417920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.