F0496-0443
TL;DR: F0496-0443 (CAS 391896-89-2) is a chemical compound with molecular formula C23H13N3O4S2 and molecular weight 459.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate
Also Known As: F0496-0443, (E)-4-((E)-2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)phenyl 3-(5-nitrothiophen-2-yl)acrylate, [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate, 4-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl (2E)-3-(5-nitrothiophen-2-yl)prop-2-enoate, [4-(2-benzothiazol-2-yl-2-cyano-ethenyl)phenyl] 3-(5-nitrothiophen-2-yl)prop-2-enoate
| Molecular Formula | C23H13N3O4S2 |
|---|---|
| Molecular Weight | 459.03 g/mol |
| LogP | 5.94898 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.03476 |
| Heavy Atoms | 32 |
| Complexity | 1376.0481 |
Chemical Identifiers
| CAS Number | 391896-89-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)OC(=O)/C=C/C4=CC=C(S4)[N+](=O)[O-])/C#N |
Product Overview
F0496-0443 (CAS 391896-89-2), with molecular formula C23H13N3O4S2 and molecular weight 459.03 g/mol. IUPAC: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] (E)-3-(5-nitrothiophen-2-yl)prop-2-enoate.
Chemical Property Profile of F0496-0443
Property Insights of F0496-0443
The XLogP value of 5.94898 indicates that F0496-0443 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for F0496-0443. Following Lipinski's Rule of Five, F0496-0443 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0496-0443?
The CAS number of F0496-0443 is 391896-89-2.
What is the molecular formula of F0496-0443?
The molecular formula of F0496-0443 is C23H13N3O4S2.
What is the molecular weight of F0496-0443?
The molecular weight of F0496-0443 is 459.03 g/mol.
Where can I buy F0496-0443?
You can request a quote for F0496-0443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0496-0443?
Yes, KEHONG BIO provides custom synthesis services for F0496-0443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.