6K-578S
TL;DR: 6K-578S (CAS 318949-11-0) is a chemical compound with molecular formula C25H19ClN2OS and molecular weight 430.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]-3-phenylprop-2-yn-1-ol
Also Known As: 6K-578S, 1-{5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}-3-phenylprop-2-yn-1-ol, 1-[5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]-3-phenylprop-2-yn-1-ol, 1-{5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}-3-phenyl-2-propyn-1-ol, 1-[5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]-3-phenyl-prop-2-yn-1-ol
| Molecular Formula | C25H19ClN2OS |
|---|---|
| Molecular Weight | 430.09 g/mol |
| LogP | 5.9768 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.09067 |
| Heavy Atoms | 30 |
| Complexity | 1193.1348 |
Chemical Identifiers
| CAS Number | 318949-11-0 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)C(C#CC3=CC=CC=C3)O)SC4=CC=C(C=C4)Cl |
Product Overview
6K-578S (CAS 318949-11-0), with molecular formula C25H19ClN2OS and molecular weight 430.09 g/mol. IUPAC: 1-[5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]-3-phenylprop-2-yn-1-ol.
Chemical Property Profile of 6K-578S
Property Insights of 6K-578S
The XLogP value of 5.9768 indicates that 6K-578S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.05 Ų, 6K-578S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6K-578S has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6K-578S?
The CAS number of 6K-578S is 318949-11-0.
What is the molecular formula of 6K-578S?
The molecular formula of 6K-578S is C25H19ClN2OS.
What is the molecular weight of 6K-578S?
The molecular weight of 6K-578S is 430.09 g/mol.
Where can I buy 6K-578S?
You can request a quote for 6K-578S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6K-578S?
Yes, KEHONG BIO provides custom synthesis services for 6K-578S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.