AB00673096-01
TL;DR: AB00673096-01 (CAS 682782-54-3) is a chemical compound with molecular formula C17H19N3O4S3 and molecular weight 425.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]piperazine-1-carboxylate
Also Known As: AB00673096-01, F1063-1754, (E)-ethyl 4-(2-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)acetyl)piperazine-1-carboxylate, ethyl 4-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]piperazine-1-carboxylate, ethyl 4-{2-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetyl}piperazine-1-carboxylate
| Molecular Formula | C17H19N3O4S3 |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | 2.25 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.05377 |
| Heavy Atoms | 27 |
| Complexity | 770.3964 |
Chemical Identifiers
| CAS Number | 682782-54-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)/C(=C\C3=CC=CS3)/SC2=S |
Product Overview
AB00673096-01 (CAS 682782-54-3), with molecular formula C17H19N3O4S3 and molecular weight 425.05 g/mol. IUPAC: ethyl 4-[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of AB00673096-01
Property Insights of AB00673096-01
The XLogP value of 2.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00673096-01. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673096-01. Following Lipinski's Rule of Five, AB00673096-01 has 0 hydrogen bond donor(s) and 7 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 AB00673096-01?
The CAS number of AB00673096-01 is 682782-54-3.
What is the molecular formula of AB00673096-01?
The molecular formula of AB00673096-01 is C17H19N3O4S3.
What is the molecular weight of AB00673096-01?
The molecular weight of AB00673096-01 is 425.05 g/mol.
Where can I buy AB00673096-01?
You can request a quote for AB00673096-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673096-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673096-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.