F0529-0825
TL;DR: F0529-0825 (CAS 477212-25-2) is a chemical compound with molecular formula C21H20N4O4S2 and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
Also Known As: F0529-0825, (2E)-3-(3,4-dimethoxyphenyl)-N-(5-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)prop-2-enamide, (E)-3-(3,4-dimethoxyphenyl)-N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acrylamide, (E)-N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide, 3-(3,4-dimethoxyphenyl)-N-[5-(phenylcarbamoylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
| Molecular Formula | C21H20N4O4S2 |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 3.938 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.0926 |
| Heavy Atoms | 31 |
| Complexity | 1070.2515 |
Chemical Identifiers
| CAS Number | 477212-25-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3)OC |
Product Overview
F0529-0825 (CAS 477212-25-2), with molecular formula C21H20N4O4S2 and molecular weight 456.09 g/mol. IUPAC: (E)-N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of F0529-0825
Property Insights of F0529-0825
The XLogP value of 3.938 indicates that F0529-0825 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for F0529-0825. Following Lipinski's Rule of Five, F0529-0825 has 2 hydrogen bond donor(s) and 8 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 F0529-0825?
The CAS number of F0529-0825 is 477212-25-2.
What is the molecular formula of F0529-0825?
The molecular formula of F0529-0825 is C21H20N4O4S2.
What is the molecular weight of F0529-0825?
The molecular weight of F0529-0825 is 456.09 g/mol.
Where can I buy F0529-0825?
You can request a quote for F0529-0825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0529-0825?
Yes, KEHONG BIO provides custom synthesis services for F0529-0825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.