A2636/0112246
TL;DR: A2636/0112246 (CAS 374095-13-3) is a chemical compound with molecular formula C22H22N4OS and molecular weight 390.15 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-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-5-propyl-1H-pyrazol-3-one
Also Known As: A2636/0112246, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-methylanilino)ethylidene]-5-propylpyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-methylanilino)ethylidene]-5-propylpyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-5-propyl-4-(1-(p-tolylimino)ethyl)-1H-pyrazol-3(2H)-one, 2-(1,3-benzothiazol-2-yl)-4-[1-(4-methylanilino)ethylidene]-5-propylpyrazol-3-one
| Molecular Formula | C22H22N4OS |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | 5.17692 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.15143 |
| Heavy Atoms | 28 |
| Complexity | 1178.5494 |
Chemical Identifiers
| CAS Number | 374095-13-3 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C(=NC4=CC=C(C=C4)C)C |
Product Overview
A2636/0112246 (CAS 374095-13-3), with molecular formula C22H22N4OS and molecular weight 390.15 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of A2636/0112246
Property Insights of A2636/0112246
The XLogP value of 5.17692 indicates that A2636/0112246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for A2636/0112246. Following Lipinski's Rule of Five, A2636/0112246 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2636/0112246?
The CAS number of A2636/0112246 is 374095-13-3.
What is the molecular formula of A2636/0112246?
The molecular formula of A2636/0112246 is C22H22N4OS.
What is the molecular weight of A2636/0112246?
The molecular weight of A2636/0112246 is 390.15 g/mol.
Where can I buy A2636/0112246?
You can request a quote for A2636/0112246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2636/0112246?
Yes, KEHONG BIO provides custom synthesis services for A2636/0112246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.