BAS 07416661
TL;DR: BAS 07416661 (CAS 311809-97-9) is a chemical compound with molecular formula C15H16N4OS and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
Also Known As: BAS 07416661, 2-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4,6-dimethylnicotinonitrile, 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile, 2-[2-(3,5-dimethylpyrazolyl)-2-oxoethylthio]-4,6-dimethylpyridine-3-carbonitri le, 2-{[2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-OXOETHYL]SULFANYL}-4,6-DIMETHYL-3-PYRIDYL CYANIDE
| Molecular Formula | C15H16N4OS |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 2.81596 |
| Topological Polar Surface Area | 71.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.1045 |
| Heavy Atoms | 21 |
| Complexity | 742.86237 |
Chemical Identifiers
| CAS Number | 311809-97-9 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(=O)N2C(=CC(=N2)C)C)C |
Product Overview
BAS 07416661 (CAS 311809-97-9), with molecular formula C15H16N4OS and molecular weight 300.10 g/mol. IUPAC: 2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of BAS 07416661
Property Insights of BAS 07416661
The XLogP value of 2.81596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07416661. The TPSA of 71.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07416661. Following Lipinski's Rule of Five, BAS 07416661 has 0 hydrogen bond donor(s) and 5 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 07416661?
The CAS number of BAS 07416661 is 311809-97-9.
What is the molecular formula of BAS 07416661?
The molecular formula of BAS 07416661 is C15H16N4OS.
What is the molecular weight of BAS 07416661?
The molecular weight of BAS 07416661 is 300.10 g/mol.
Where can I buy BAS 07416661?
You can request a quote for BAS 07416661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07416661?
Yes, KEHONG BIO provides custom synthesis services for BAS 07416661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.