F0529-0057
TL;DR: F0529-0057 (CAS 476458-53-4) is a chemical compound with molecular formula C21H21N3OS2 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
Also Known As: F0529-0057, 2-(benzylsulfanyl)-N-[2-(2-methylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]acetamide, 2-(benzylthio)-N-(2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide, 2-benzylsulfanyl-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide, 2-benzylsulfanyl-N-[7-(2-methylphenyl)-3-thia-6,7-diazabicyclo[3.3.0]octa-5,8-dien-8-yl]acetamide
| Molecular Formula | C21H21N3OS2 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 4.79942 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.1126 |
| Heavy Atoms | 27 |
| Complexity | 953.3155 |
Chemical Identifiers
| CAS Number | 476458-53-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=C3CSCC3=N2)NC(=O)CSCC4=CC=CC=C4 |
Product Overview
F0529-0057 (CAS 476458-53-4), with molecular formula C21H21N3OS2 and molecular weight 395.11 g/mol. IUPAC: 2-benzylsulfanyl-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
Chemical Property Profile of F0529-0057
Property Insights of F0529-0057
The XLogP value of 4.79942 indicates that F0529-0057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, F0529-0057 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0529-0057 has 1 hydrogen bond donor(s) and 4 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 F0529-0057?
The CAS number of F0529-0057 is 476458-53-4.
What is the molecular formula of F0529-0057?
The molecular formula of F0529-0057 is C21H21N3OS2.
What is the molecular weight of F0529-0057?
The molecular weight of F0529-0057 is 395.11 g/mol.
Where can I buy F0529-0057?
You can request a quote for F0529-0057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0529-0057?
Yes, KEHONG BIO provides custom synthesis services for F0529-0057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.