F1259-0047
TL;DR: F1259-0047 (CAS 501112-84-1) is a chemical compound with molecular formula C17H19N3O4S2 and molecular weight 393.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Also Known As: F1259-0047, (2E)-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, (E)-N-(5-(allylthio)-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylamide, (E)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-(E)-3-(3,4,5-trimethoxyphenyl)acrylamide
| Molecular Formula | C17H19N3O4S2 |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 3.4939 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 393.0817 |
| Heavy Atoms | 26 |
| Complexity | 780.05084 |
Chemical Identifiers
| CAS Number | 501112-84-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=NN=C(S2)SCC=C |
Product Overview
F1259-0047 (CAS 501112-84-1), with molecular formula C17H19N3O4S2 and molecular weight 393.08 g/mol. IUPAC: (E)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of F1259-0047
Property Insights of F1259-0047
The XLogP value of 3.4939 indicates that F1259-0047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for F1259-0047. Following Lipinski's Rule of Five, F1259-0047 has 1 hydrogen bond donor(s) and 8 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 F1259-0047?
The CAS number of F1259-0047 is 501112-84-1.
What is the molecular formula of F1259-0047?
The molecular formula of F1259-0047 is C17H19N3O4S2.
What is the molecular weight of F1259-0047?
The molecular weight of F1259-0047 is 393.08 g/mol.
Where can I buy F1259-0047?
You can request a quote for F1259-0047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1259-0047?
Yes, KEHONG BIO provides custom synthesis services for F1259-0047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.