6K-306S
TL;DR: 6K-306S (CAS 956785-67-4) is a chemical compound with molecular formula C25H19Cl2FN2O2S and molecular weight 500.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(5-fluoro-2-methylphenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3,4-dichlorobenzoate
Also Known As: 6K-306S, {5-[(5-fluoro-2-methylphenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl 3,4-dichlorobenzenecarboxylate, [5-(5-fluoro-2-methylphenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3,4-dichlorobenzoate, {5-[(5-fluoro-2-methylphenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}methyl 3,4-dichlorobenzoate, [5-(5-fluoro-2-methyl-phenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]methyl 3,4-dichlorobenzoate
| Molecular Formula | C25H19Cl2FN2O2S |
|---|---|
| Molecular Weight | 500.05 g/mol |
| LogP | 7.34962 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.05283 |
| Heavy Atoms | 33 |
| Complexity | 1325.739 |
Chemical Identifiers
| CAS Number | 956785-67-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)SC2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
6K-306S (CAS 956785-67-4), with molecular formula C25H19Cl2FN2O2S and molecular weight 500.05 g/mol. IUPAC: [5-(5-fluoro-2-methylphenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3,4-dichlorobenzoate.
Chemical Property Profile of 6K-306S
Property Insights of 6K-306S
The XLogP value of 7.34962 indicates that 6K-306S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 6K-306S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6K-306S has 0 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 6K-306S?
The CAS number of 6K-306S is 956785-67-4.
What is the molecular formula of 6K-306S?
The molecular formula of 6K-306S is C25H19Cl2FN2O2S.
What is the molecular weight of 6K-306S?
The molecular weight of 6K-306S is 500.05 g/mol.
Where can I buy 6K-306S?
You can request a quote for 6K-306S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6K-306S?
Yes, KEHONG BIO provides custom synthesis services for 6K-306S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.