BAS 12239684
TL;DR: BAS 12239684 (CAS 775299-52-0) is a chemical compound with molecular formula C12H12F3N5OS2 and molecular weight 363.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
Also Known As: BAS 12239684, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide, 2-[(4,6-DIMETHYL-2-PYRIMIDINYL)SULFANYL]-N~1~-[5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOL-2-YL]PROPANAMIDE, 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
| Molecular Formula | C12H12F3N5OS2 |
|---|---|
| Molecular Weight | 363.04 g/mol |
| LogP | 3.08304 |
| Topological Polar Surface Area | 80.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.04355 |
| Heavy Atoms | 23 |
| Complexity | 698.712 |
Chemical Identifiers
| CAS Number | 775299-52-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC(C)C(=O)NC2=NN=C(S2)C(F)(F)F)C |
Product Overview
BAS 12239684 (CAS 775299-52-0), with molecular formula C12H12F3N5OS2 and molecular weight 363.04 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide.
Chemical Property Profile of BAS 12239684
Property Insights of BAS 12239684
The XLogP value of 3.08304 indicates that BAS 12239684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12239684. Following Lipinski's Rule of Five, BAS 12239684 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 12239684?
The CAS number of BAS 12239684 is 775299-52-0.
What is the molecular formula of BAS 12239684?
The molecular formula of BAS 12239684 is C12H12F3N5OS2.
What is the molecular weight of BAS 12239684?
The molecular weight of BAS 12239684 is 363.04 g/mol.
Where can I buy BAS 12239684?
You can request a quote for BAS 12239684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12239684?
Yes, KEHONG BIO provides custom synthesis services for BAS 12239684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.