F1381-0528
TL;DR: F1381-0528 (CAS 865544-52-1) is a chemical compound with molecular formula C16H12BrN3O3S2 and molecular weight 436.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide
Also Known As: F1381-0528, (2E,NE)-N-(6-bromo-3-ethylbenzo[d]thiazol-2(3H)-ylidene)-3-(5-nitrothiophen-2-yl)acrylamide, (2E)-N-[(2E)-6-bromo-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-(5-nitrothiophen-2-yl)prop-2-enamide, (E)-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide
| Molecular Formula | C16H12BrN3O3S2 |
|---|---|
| Molecular Weight | 436.95 g/mol |
| LogP | 4.5956 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.95035 |
| Heavy Atoms | 25 |
| Complexity | 1062.1947 |
Chemical Identifiers
| CAS Number | 865544-52-1 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-] |
Product Overview
F1381-0528 (CAS 865544-52-1), with molecular formula C16H12BrN3O3S2 and molecular weight 436.95 g/mol. IUPAC: (E)-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide.
Chemical Property Profile of F1381-0528
Property Insights of F1381-0528
The XLogP value of 4.5956 indicates that F1381-0528 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for F1381-0528. Following Lipinski's Rule of Five, F1381-0528 has 0 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 F1381-0528?
The CAS number of F1381-0528 is 865544-52-1.
What is the molecular formula of F1381-0528?
The molecular formula of F1381-0528 is C16H12BrN3O3S2.
What is the molecular weight of F1381-0528?
The molecular weight of F1381-0528 is 436.95 g/mol.
Where can I buy F1381-0528?
You can request a quote for F1381-0528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1381-0528?
Yes, KEHONG BIO provides custom synthesis services for F1381-0528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.