BAS 01257229
TL;DR: BAS 01257229 (CAS 337340-20-2) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 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-phenyl-1H-pyrazol-3-one
Also Known As: BAS 01257229, 2-(1,3-benzothiazol-2-yl)-4-{(E)-[(3-methoxypropyl)imino]methyl}-5-phenyl-1,2-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-phenylpyrazol-3-one, 4-((1E)-5-methoxy-2-azapent-1-enyl)-1-benzothiazol-2-yl-3-phenyl-3-pyrazolin-5 -one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(3-methoxypropylamino)methylidene]-5-phenylpyrazol-3-one
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.8977 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 1125.0889 |
Chemical Identifiers
| CAS Number | 337340-20-2 |
|---|---|
| SMILES | COCCCN=CC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4 |
Product Overview
BAS 01257229 (CAS 337340-20-2), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(3-methoxypropyliminomethyl)-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01257229
Property Insights of BAS 01257229
The XLogP value of 3.8977 indicates that BAS 01257229 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 01257229. Following Lipinski's Rule of Five, BAS 01257229 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 01257229?
The CAS number of BAS 01257229 is 337340-20-2.
What is the molecular formula of BAS 01257229?
The molecular formula of BAS 01257229 is C21H20N4O2S.
What is the molecular weight of BAS 01257229?
The molecular weight of BAS 01257229 is 392.13 g/mol.
Where can I buy BAS 01257229?
You can request a quote for BAS 01257229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01257229?
Yes, KEHONG BIO provides custom synthesis services for BAS 01257229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.