BAS 01257242
TL;DR: BAS 01257242 (CAS 362679-80-9) is a chemical compound with molecular formula C18H17F3N4O2S and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(oxolan-2-ylmethyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BAS 01257242, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(oxolan-2-ylmethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-4-(1-(((tetrahydrofuran-2-yl)methyl)imino)ethyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one, 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(tetrahydrofuran-2-ylmethyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-[1-(oxolan-2-ylmethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C18H17F3N4O2S |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 3.7821 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.10242 |
| Heavy Atoms | 28 |
| Complexity | 1057.3748 |
Chemical Identifiers
| CAS Number | 362679-80-9 |
|---|---|
| SMILES | CC(=NCC1CCCO1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
BAS 01257242 (CAS 362679-80-9), with molecular formula C18H17F3N4O2S and molecular weight 410.10 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(oxolan-2-ylmethyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01257242
Property Insights of BAS 01257242
The XLogP value of 3.7821 indicates that BAS 01257242 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01257242. Following Lipinski's Rule of Five, BAS 01257242 has 1 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 01257242?
The CAS number of BAS 01257242 is 362679-80-9.
What is the molecular formula of BAS 01257242?
The molecular formula of BAS 01257242 is C18H17F3N4O2S.
What is the molecular weight of BAS 01257242?
The molecular weight of BAS 01257242 is 410.10 g/mol.
Where can I buy BAS 01257242?
You can request a quote for BAS 01257242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01257242?
Yes, KEHONG BIO provides custom synthesis services for BAS 01257242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.