BAS 06900745
TL;DR: BAS 06900745 (CAS 445390-87-4) is a chemical compound with molecular formula C17H17F3N4O2S and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: BAS 06900745, AM-807/41062513, 2-((6-(tert-butyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide, 2-{[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(5-methyl-3-isoxazolyl)acetamide
| Molecular Formula | C17H17F3N4O2S |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 4.2968 |
| Topological Polar Surface Area | 91.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.10242 |
| Heavy Atoms | 27 |
| Complexity | 895.0493 |
Chemical Identifiers
| CAS Number | 445390-87-4 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=C(C(=CC(=N2)C(C)(C)C)C(F)(F)F)C#N |
Product Overview
BAS 06900745 (CAS 445390-87-4), with molecular formula C17H17F3N4O2S and molecular weight 398.10 g/mol. IUPAC: 2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of BAS 06900745
Property Insights of BAS 06900745
The XLogP value of 4.2968 indicates that BAS 06900745 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.81 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900745. Following Lipinski's Rule of Five, BAS 06900745 has 1 hydrogen bond donor(s) and 6 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 06900745?
The CAS number of BAS 06900745 is 445390-87-4.
What is the molecular formula of BAS 06900745?
The molecular formula of BAS 06900745 is C17H17F3N4O2S.
What is the molecular weight of BAS 06900745?
The molecular weight of BAS 06900745 is 398.10 g/mol.
Where can I buy BAS 06900745?
You can request a quote for BAS 06900745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900745?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.