F0529-0117
TL;DR: F0529-0117 (CAS 476459-19-5) is a chemical compound with molecular formula C20H18ClN3OS2 and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
Also Known As: F0529-0117, 2-(benzylsulfanyl)-N-[2-(4-chlorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]acetamide, 2-(benzylthio)-N-(2-(4-chlorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide, 2-benzylsulfanyl-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
| Molecular Formula | C20H18ClN3OS2 |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 5.1444 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.05798 |
| Heavy Atoms | 27 |
| Complexity | 941.8656 |
Chemical Identifiers
| CAS Number | 476459-19-5 |
|---|---|
| SMILES | C1C2=C(N(N=C2CS1)C3=CC=C(C=C3)Cl)NC(=O)CSCC4=CC=CC=C4 |
Product Overview
F0529-0117 (CAS 476459-19-5), with molecular formula C20H18ClN3OS2 and molecular weight 415.06 g/mol. IUPAC: 2-benzylsulfanyl-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
Chemical Property Profile of F0529-0117
Property Insights of F0529-0117
The XLogP value of 5.1444 indicates that F0529-0117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, F0529-0117 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0529-0117 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0529-0117?
The CAS number of F0529-0117 is 476459-19-5.
What is the molecular formula of F0529-0117?
The molecular formula of F0529-0117 is C20H18ClN3OS2.
What is the molecular weight of F0529-0117?
The molecular weight of F0529-0117 is 415.06 g/mol.
Where can I buy F0529-0117?
You can request a quote for F0529-0117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0529-0117?
Yes, KEHONG BIO provides custom synthesis services for F0529-0117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.