RefChem:1064411
TL;DR: RefChem:1064411 (CAS 132334-17-9) is a chemical compound with molecular formula C21H16N2O2S3 and molecular weight 424.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-(2-oxo-2-thiophen-2-ylethyl)-5-phenyl-2H-1,3,4-thiadiazol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
Also Known As: 2-Propen-1-one, 3-(2-(2-oxo-2-(2-thienyl)ethyl)-5-phenyl-1,3,4-thiadiazol-3(2H)-yl)-1-(2-thienyl)-, 3-Thenoylvinyl-2-thenoylmethyl-5-phenyl-delta(sup 4)-1,3,4-thiadiazoline, (E)-3-[2-(2-oxo-2-thiophen-2-ylethyl)-5-phenyl-2H-1,3,4-thiadiazol-3-yl]-1-thiophen-2-ylprop-2-en-1-one, RefChem:1064411, BRN 3570937
| Molecular Formula | C21H16N2O2S3 |
|---|---|
| Molecular Weight | 424.04 g/mol |
| LogP | 5.5157 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.03738 |
| Heavy Atoms | 28 |
| Complexity | 1009.37994 |
Chemical Identifiers
| CAS Number | 132334-17-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(S2)CC(=O)C3=CC=CS3)/C=C/C(=O)C4=CC=CS4 |
Product Overview
RefChem:1064411 (CAS 132334-17-9), with molecular formula C21H16N2O2S3 and molecular weight 424.04 g/mol. IUPAC: (E)-3-[2-(2-oxo-2-thiophen-2-ylethyl)-5-phenyl-2H-1,3,4-thiadiazol-3-yl]-1-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of RefChem:1064411
Property Insights of RefChem:1064411
The XLogP value of 5.5157 indicates that RefChem:1064411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, RefChem:1064411 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1064411 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1064411?
The CAS number of RefChem:1064411 is 132334-17-9.
What is the molecular formula of RefChem:1064411?
The molecular formula of RefChem:1064411 is C21H16N2O2S3.
What is the molecular weight of RefChem:1064411?
The molecular weight of RefChem:1064411 is 424.04 g/mol.
Where can I buy RefChem:1064411?
You can request a quote for RefChem:1064411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064411?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.