NPE704
TL;DR: NPE704 (CAS 371954-79-9) is a chemical compound with molecular formula C22H22N4O2S and molecular weight 406.15 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-[(4-methoxyphenyl)methyliminomethyl]-5-propyl-1H-pyrazol-3-one
Also Known As: NPE704, 2-(1,3-benzothiazol-2-yl)-4-{[(4-methoxybenzyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-methoxybenzyl)imino)methyl)-5-propyl-1H-pyrazol-3(2H)-one, 2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methyliminomethyl]-5-propyl-1H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(4-methoxyphenyl)methylamino]methylidene]-5-propylpyrazol-3-one
| Molecular Formula | C22H22N4O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 4.3555 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.14636 |
| Heavy Atoms | 29 |
| Complexity | 1168.7584 |
Chemical Identifiers
| CAS Number | 371954-79-9 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NCC4=CC=C(C=C4)OC |
Product Overview
NPE704 (CAS 371954-79-9), with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)methyliminomethyl]-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of NPE704
Property Insights of NPE704
The XLogP value of 4.3555 indicates that NPE704 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 NPE704. Following Lipinski's Rule of Five, NPE704 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 NPE704?
The CAS number of NPE704 is 371954-79-9.
What is the molecular formula of NPE704?
The molecular formula of NPE704 is C22H22N4O2S.
What is the molecular weight of NPE704?
The molecular weight of NPE704 is 406.15 g/mol.
Where can I buy NPE704?
You can request a quote for NPE704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NPE704?
Yes, KEHONG BIO provides custom synthesis services for NPE704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.