F1016-0540
TL;DR: F1016-0540 (CAS 403836-87-3) is a chemical compound with molecular formula C26H23N3O2S2 and molecular weight 473.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: F1016-0540, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[3-(4-methoxyphenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone, 2-(benzo[d]thiazol-2-ylthio)-1-(3-(4-methoxyphenyl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
| Molecular Formula | C26H23N3O2S2 |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | 6.08332 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.12317 |
| Heavy Atoms | 33 |
| Complexity | 1280.6418 |
Chemical Identifiers
| CAS Number | 403836-87-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)OC |
Product Overview
F1016-0540 (CAS 403836-87-3), with molecular formula C26H23N3O2S2 and molecular weight 473.12 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of F1016-0540
Property Insights of F1016-0540
The XLogP value of 6.08332 indicates that F1016-0540 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, F1016-0540 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1016-0540 has 0 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 F1016-0540?
The CAS number of F1016-0540 is 403836-87-3.
What is the molecular formula of F1016-0540?
The molecular formula of F1016-0540 is C26H23N3O2S2.
What is the molecular weight of F1016-0540?
The molecular weight of F1016-0540 is 473.12 g/mol.
Where can I buy F1016-0540?
You can request a quote for F1016-0540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1016-0540?
Yes, KEHONG BIO provides custom synthesis services for F1016-0540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.