RefChem:1064420
TL;DR: RefChem:1064420 (CAS 125791-40-4) is a chemical compound with molecular formula C13H11N3OS3 and molecular weight 321.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-amino-2-thiophen-2-yl-2H-1,3,4-thiadiazol-3-yl)-1-thiophen-2-ylprop-2-en-1-one
Also Known As: 2-Propen-1-one, 3-(5-amino-2-(2-thienyl)-1,3,4-thiadiazol-3(2H)-yl)-1-(2-thienyl)-, 3-(5-Amino-2-(2-thienyl)-1,3,4-thiadiazol-3(2H)-yl)-1-(2-thienyl)-2-propen-1-one, (E)-3-(5-amino-2-thiophen-2-yl-2H-1,3,4-thiadiazol-3-yl)-1-thiophen-2-ylprop-2-en-1-one, RefChem:1064420, BRN 4237123
| Molecular Formula | C13H11N3OS3 |
|---|---|
| Molecular Weight | 321.01 g/mol |
| LogP | 3.4833 |
| Topological Polar Surface Area | 58.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.00644 |
| Heavy Atoms | 20 |
| Complexity | 646.47406 |
Chemical Identifiers
| CAS Number | 125791-40-4 |
|---|---|
| SMILES | C1=CSC(=C1)C2N(N=C(S2)N)/C=C/C(=O)C3=CC=CS3 |
Product Overview
RefChem:1064420 (CAS 125791-40-4), with molecular formula C13H11N3OS3 and molecular weight 321.01 g/mol. IUPAC: (E)-3-(5-amino-2-thiophen-2-yl-2H-1,3,4-thiadiazol-3-yl)-1-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of RefChem:1064420
Property Insights of RefChem:1064420
The XLogP value of 3.4833 indicates that RefChem:1064420 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.69 Ų, RefChem:1064420 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1064420 has 1 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 RefChem:1064420?
The CAS number of RefChem:1064420 is 125791-40-4.
What is the molecular formula of RefChem:1064420?
The molecular formula of RefChem:1064420 is C13H11N3OS3.
What is the molecular weight of RefChem:1064420?
The molecular weight of RefChem:1064420 is 321.01 g/mol.
Where can I buy RefChem:1064420?
You can request a quote for RefChem:1064420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064420?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.