BAS 06900747
TL;DR: BAS 06900747 (CAS 445391-15-1) is a chemical compound with molecular formula C16H18F3N3O3S and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]carbamate
Also Known As: BAS 06900747, AM-807/41062901, ethyl (2-((6-(tert-butyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetyl)carbamate, ethyl ({[6-tert-butyl-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)carbamate, ethyl {[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetylcarbamate
| Molecular Formula | C16H18F3N3O3S |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | 3.63438 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1021 |
| Heavy Atoms | 26 |
| Complexity | 737.21643 |
Chemical Identifiers
| CAS Number | 445391-15-1 |
|---|---|
| SMILES | CCOC(=O)NC(=O)CSC1=C(C(=CC(=N1)C(C)(C)C)C(F)(F)F)C#N |
Product Overview
BAS 06900747 (CAS 445391-15-1), with molecular formula C16H18F3N3O3S and molecular weight 389.10 g/mol. IUPAC: ethyl N-[2-[[6-tert-butyl-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]carbamate.
Chemical Property Profile of BAS 06900747
Property Insights of BAS 06900747
The XLogP value of 3.63438 indicates that BAS 06900747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900747. Following Lipinski's Rule of Five, BAS 06900747 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 06900747?
The CAS number of BAS 06900747 is 445391-15-1.
What is the molecular formula of BAS 06900747?
The molecular formula of BAS 06900747 is C16H18F3N3O3S.
What is the molecular weight of BAS 06900747?
The molecular weight of BAS 06900747 is 389.10 g/mol.
Where can I buy BAS 06900747?
You can request a quote for BAS 06900747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900747?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.