BAS 01355412
TL;DR: BAS 01355412 (CAS 337502-68-8) is a chemical compound with molecular formula C22H23N5OS and molecular weight 405.16 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-(dimethylamino)propyliminomethyl]-5-phenyl-1H-pyrazol-3-one
Also Known As: BAS 01355412, (4E)-2-(1,3-benzothiazol-2-yl)-4-({[3-(dimethylamino)propyl]amino}methylidene)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[[3-(dimethylamino)propylamino]methylidene]-5-phenylpyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(((3-(dimethylamino)propyl)amino)methylene)-3-phenyl-1H-pyrazol-5(4H)-one, 2-(1,3-benzothiazol-2-yl)-4-[[3-(dimethylamino)propylamino]methylidene]-5-phenylpyrazol-3-one
| Molecular Formula | C22H23N5OS |
|---|---|
| Molecular Weight | 405.16 g/mol |
| LogP | 3.8129 |
| Topological Polar Surface Area | 66.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.16232 |
| Heavy Atoms | 29 |
| Complexity | 1153.8672 |
Chemical Identifiers
| CAS Number | 337502-68-8 |
|---|---|
| SMILES | CN(C)CCCN=CC1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4 |
Product Overview
BAS 01355412 (CAS 337502-68-8), with molecular formula C22H23N5OS and molecular weight 405.16 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[3-(dimethylamino)propyliminomethyl]-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of BAS 01355412
Property Insights of BAS 01355412
The XLogP value of 3.8129 indicates that BAS 01355412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.28 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01355412. Following Lipinski's Rule of Five, BAS 01355412 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 01355412?
The CAS number of BAS 01355412 is 337502-68-8.
What is the molecular formula of BAS 01355412?
The molecular formula of BAS 01355412 is C22H23N5OS.
What is the molecular weight of BAS 01355412?
The molecular weight of BAS 01355412 is 405.16 g/mol.
Where can I buy BAS 01355412?
You can request a quote for BAS 01355412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01355412?
Yes, KEHONG BIO provides custom synthesis services for BAS 01355412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.