F0529-0597
TL;DR: F0529-0597 (CAS 476465-01-7) is a chemical compound with molecular formula C18H15ClFN3OS3 and molecular weight 439.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: F0529-0597, 2-(benzylsulfanyl)-N-(5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide, 2-(benzylthio)-N-(5-((2-chloro-6-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)acetamide, 2-benzylsulfanyl-N-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide, N-{5-[(2-chloro-6-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl}(benzylthio)acetamide
| Molecular Formula | C18H15ClFN3OS3 |
|---|---|
| Molecular Weight | 439.00 g/mol |
| LogP | 5.4948 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.00497 |
| Heavy Atoms | 27 |
| Complexity | 887.6273 |
Chemical Identifiers
| CAS Number | 476465-01-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)F |
Product Overview
F0529-0597 (CAS 476465-01-7), with molecular formula C18H15ClFN3OS3 and molecular weight 439.00 g/mol. IUPAC: 2-benzylsulfanyl-N-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of F0529-0597
Property Insights of F0529-0597
The XLogP value of 5.4948 indicates that F0529-0597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, F0529-0597 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0529-0597 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0529-0597?
The CAS number of F0529-0597 is 476465-01-7.
What is the molecular formula of F0529-0597?
The molecular formula of F0529-0597 is C18H15ClFN3OS3.
What is the molecular weight of F0529-0597?
The molecular weight of F0529-0597 is 439.00 g/mol.
Where can I buy F0529-0597?
You can request a quote for F0529-0597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0529-0597?
Yes, KEHONG BIO provides custom synthesis services for F0529-0597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.