F2609-0036
TL;DR: F2609-0036 (CAS 897466-45-4) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one
Also Known As: F2609-0036, (2E)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one, (E)-1-(4-(6-methylbenzo[d]thiazol-2-yl)piperazin-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one, (E)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.87492 |
| Topological Polar Surface Area | 79.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1100.2542 |
Chemical Identifiers
| CAS Number | 897466-45-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
F2609-0036 (CAS 897466-45-4), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: (E)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of F2609-0036
Property Insights of F2609-0036
The XLogP value of 3.87492 indicates that F2609-0036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.58 Ų falls within the moderate polarity range, balancing permeability and solubility for F2609-0036. Following Lipinski's Rule of Five, F2609-0036 has 0 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 F2609-0036?
The CAS number of F2609-0036 is 897466-45-4.
What is the molecular formula of F2609-0036?
The molecular formula of F2609-0036 is C21H20N4O3S.
What is the molecular weight of F2609-0036?
The molecular weight of F2609-0036 is 408.13 g/mol.
Where can I buy F2609-0036?
You can request a quote for F2609-0036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2609-0036?
Yes, KEHONG BIO provides custom synthesis services for F2609-0036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.