BAS 01257226
TL;DR: BAS 01257226 (CAS 371955-90-7) is a chemical compound with molecular formula C23H20N6OS and molecular weight 428.14 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-imidazol-1-ylpropyliminomethyl)-5-phenyl-1H-pyrazol-3-one
Also Known As: BAS 01257226, 2-(1,3-benzothiazol-2-yl)-4-({[3-(1H-imidazol-1-yl)propyl]amino}methylene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(3-imidazol-1-ylpropylamino)methylidene]-5-phenylpyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(3-imidazol-1-ylpropylamino)methylidene]-5-phenylpyrazol-3-one
| Molecular Formula | C23H20N6OS |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.14194 |
| Heavy Atoms | 31 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 371955-90-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=NC4=CC=CC=C4S3)C=NCCCN5C=CN=C5 |
| InChIKey | GZQYESSLMYRTQL-UHFFFAOYSA-N |
Product Overview
BAS 01257226 (CAS 371955-90-7), with molecular formula C23H20N6OS and molecular weight 428.14 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(3-imidazol-1-ylpropyliminomethyl)-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01257226
Property Insights of BAS 01257226
The XLogP value of 3.8 indicates that BAS 01257226 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01257226. Following Lipinski's Rule of Five, BAS 01257226 has 1 hydrogen bond donor(s) and 6 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 01257226?
The CAS number of BAS 01257226 is 371955-90-7.
What is the molecular formula of BAS 01257226?
The molecular formula of BAS 01257226 is C23H20N6OS.
What is the molecular weight of BAS 01257226?
The molecular weight of BAS 01257226 is 428.14 g/mol.
Where can I buy BAS 01257226?
You can request a quote for BAS 01257226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01257226?
Yes, KEHONG BIO provides custom synthesis services for BAS 01257226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.