BAS 11847686
TL;DR: BAS 11847686 (CAS 838897-17-9) is a chemical compound with molecular formula C13H9F3N6OS2 and molecular weight 386.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide
Also Known As: BAS 11847686, AF-399/43344409, N-(1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide, N-(1,3-thiazol-2-yl)-2-({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide, N-(1,3-thiazol-2-yl)-2-({1-[3-(trifluoromethyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)acetamide
| Molecular Formula | C13H9F3N6OS2 |
|---|---|
| Molecular Weight | 386.02 g/mol |
| LogP | 2.8684 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.02313 |
| Heavy Atoms | 25 |
| Complexity | 864.78394 |
Chemical Identifiers
| CAS Number | 838897-17-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NN=N2)SCC(=O)NC3=NC=CS3)C(F)(F)F |
Product Overview
BAS 11847686 (CAS 838897-17-9), with molecular formula C13H9F3N6OS2 and molecular weight 386.02 g/mol. IUPAC: N-(1,3-thiazol-2-yl)-2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide.
Chemical Property Profile of BAS 11847686
Property Insights of BAS 11847686
The XLogP value of 2.8684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11847686. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11847686. Following Lipinski's Rule of Five, BAS 11847686 has 1 hydrogen bond donor(s) and 7 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 11847686?
The CAS number of BAS 11847686 is 838897-17-9.
What is the molecular formula of BAS 11847686?
The molecular formula of BAS 11847686 is C13H9F3N6OS2.
What is the molecular weight of BAS 11847686?
The molecular weight of BAS 11847686 is 386.02 g/mol.
Where can I buy BAS 11847686?
You can request a quote for BAS 11847686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11847686?
Yes, KEHONG BIO provides custom synthesis services for BAS 11847686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.