BAS 01257336
TL;DR: BAS 01257336 (CAS 337341-10-3) is a chemical compound with molecular formula C16H15F3N4O2S and molecular weight 384.09 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-(3-methoxypropyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: BAS 01257336, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-4-(((3-methoxypropyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one, 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-{(E)-[(3-methoxypropyl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C16H15F3N4O2S |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 3.2495 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.0868 |
| Heavy Atoms | 26 |
| Complexity | 954.445 |
Chemical Identifiers
| CAS Number | 337341-10-3 |
|---|---|
| SMILES | COCCCN=CC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F |
Product Overview
BAS 01257336 (CAS 337341-10-3), with molecular formula C16H15F3N4O2S and molecular weight 384.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(3-methoxypropyliminomethyl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01257336
Property Insights of BAS 01257336
The XLogP value of 3.2495 indicates that BAS 01257336 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 01257336. Following Lipinski's Rule of Five, BAS 01257336 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 01257336?
The CAS number of BAS 01257336 is 337341-10-3.
What is the molecular formula of BAS 01257336?
The molecular formula of BAS 01257336 is C16H15F3N4O2S.
What is the molecular weight of BAS 01257336?
The molecular weight of BAS 01257336 is 384.09 g/mol.
Where can I buy BAS 01257336?
You can request a quote for BAS 01257336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01257336?
Yes, KEHONG BIO provides custom synthesis services for BAS 01257336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.