F1685-0099
TL;DR: F1685-0099 (CAS 1008036-18-7) is a chemical compound with molecular formula C16H19N3O4S2 and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-oxo-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate
Also Known As: F1685-0099, (E)-ethyl 2-(3-oxo-1-((3-(thiophen-2-yl)acryloyl)carbamothioyl)piperazin-2-yl)acetate, ethyl 2-[3-oxo-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate, ETHYL 2-(3-OXO-1-{[(2E)-3-(THIOPHEN-2-YL)PROP-2-ENAMIDO]METHANETHIOYL}PIPERAZIN-2-YL)ACETATE, ethyl (3-oxo-1-{[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}piperazin-2-yl)acetate
| Molecular Formula | C16H19N3O4S2 |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 0.916 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.0817 |
| Heavy Atoms | 25 |
| Complexity | 672.9295 |
Chemical Identifiers
| CAS Number | 1008036-18-7 |
|---|---|
| SMILES | CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C2=CC=CS2 |
Product Overview
F1685-0099 (CAS 1008036-18-7), with molecular formula C16H19N3O4S2 and molecular weight 381.08 g/mol. IUPAC: ethyl 2-[3-oxo-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate.
Chemical Property Profile of F1685-0099
Property Insights of F1685-0099
The XLogP value of 0.916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1685-0099. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F1685-0099. Following Lipinski's Rule of Five, F1685-0099 has 2 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 F1685-0099?
The CAS number of F1685-0099 is 1008036-18-7.
What is the molecular formula of F1685-0099?
The molecular formula of F1685-0099 is C16H19N3O4S2.
What is the molecular weight of F1685-0099?
The molecular weight of F1685-0099 is 381.08 g/mol.
Where can I buy F1685-0099?
You can request a quote for F1685-0099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1685-0099?
Yes, KEHONG BIO provides custom synthesis services for F1685-0099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.