AB00684396-01
TL;DR: AB00684396-01 (CAS 477214-71-4) is a chemical compound with molecular formula C13H11N5O2S4 and molecular weight 396.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
Also Known As: AB00684396-01, F0529-1069, N-(1,3-thiazol-2-yl)-2-({5-[2-(thiophen-2-yl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamide, N-(5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide, N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
| Molecular Formula | C13H11N5O2S4 |
|---|---|
| Molecular Weight | 396.98 g/mol |
| LogP | 2.9681 |
| Topological Polar Surface Area | 96.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.97955 |
| Heavy Atoms | 24 |
| Complexity | 800.32434 |
Chemical Identifiers
| CAS Number | 477214-71-4 |
|---|---|
| SMILES | C1=CSC(=C1)CC(=O)NC2=NN=C(S2)SCC(=O)NC3=NC=CS3 |
Product Overview
AB00684396-01 (CAS 477214-71-4), with molecular formula C13H11N5O2S4 and molecular weight 396.98 g/mol. IUPAC: N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
Chemical Property Profile of AB00684396-01
Property Insights of AB00684396-01
The XLogP value of 2.9681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684396-01. The TPSA of 96.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684396-01. Following Lipinski's Rule of Five, AB00684396-01 has 2 hydrogen bond donor(s) and 9 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 AB00684396-01?
The CAS number of AB00684396-01 is 477214-71-4.
What is the molecular formula of AB00684396-01?
The molecular formula of AB00684396-01 is C13H11N5O2S4.
What is the molecular weight of AB00684396-01?
The molecular weight of AB00684396-01 is 396.98 g/mol.
Where can I buy AB00684396-01?
You can request a quote for AB00684396-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684396-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684396-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.