BAS 01174135
TL;DR: BAS 01174135 (CAS 332144-71-5) is a chemical compound with molecular formula C22H16N4O2S and molecular weight 400.10 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-(furan-2-ylmethyliminomethyl)-5-phenyl-1H-pyrazol-3-one
Also Known As: BAS 01174135, BIM-0035834.P001, 2-(1,3-benzothiazol-2-yl)-4-{[(2-furylmethyl)amino]methylene}-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, 1-benzothiazol-2-yl-4-{[(2-furylmethyl)amino]methylene}-3-phenyl-1,2-diazolin- 5-one, 2-(1,3-benzothiazol-2-yl)-4-[(furan-2-ylmethylamino)methylidene]-5-phenylpyrazol-3-one
| Molecular Formula | C22H16N4O2S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 4.6544 |
| Topological Polar Surface Area | 76.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0994 |
| Heavy Atoms | 29 |
| Complexity | 1311.763 |
Chemical Identifiers
| CAS Number | 332144-71-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=NC4=CC=CC=C4S3)C=NCC5=CC=CO5 |
Product Overview
BAS 01174135 (CAS 332144-71-5), with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(furan-2-ylmethyliminomethyl)-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01174135
Property Insights of BAS 01174135
The XLogP value of 4.6544 indicates that BAS 01174135 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01174135. Following Lipinski's Rule of Five, BAS 01174135 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 01174135?
The CAS number of BAS 01174135 is 332144-71-5.
What is the molecular formula of BAS 01174135?
The molecular formula of BAS 01174135 is C22H16N4O2S.
What is the molecular weight of BAS 01174135?
The molecular weight of BAS 01174135 is 400.10 g/mol.
Where can I buy BAS 01174135?
You can request a quote for BAS 01174135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01174135?
Yes, KEHONG BIO provides custom synthesis services for BAS 01174135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.