6K-583S
TL;DR: 6K-583S (CAS 318949-16-5) is a chemical compound with molecular formula C21H17ClN2OS2 and molecular weight 412.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]-thiophen-2-ylmethanol
Also Known As: 6K-583S, {5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}(thiophen-2-yl)methanol, [5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]-thiophen-2-ylmethanol, {5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-phenyl-1H-pyrazol-4-yl}(2-thienyl)methanol, [5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]-thiophen-2-yl-methanol
| Molecular Formula | C21H17ClN2OS2 |
|---|---|
| Molecular Weight | 412.05 g/mol |
| LogP | 6.0349 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0471 |
| Heavy Atoms | 27 |
| Complexity | 1028.2511 |
Chemical Identifiers
| CAS Number | 318949-16-5 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)C(C3=CC=CS3)O)SC4=CC=C(C=C4)Cl |
Product Overview
6K-583S (CAS 318949-16-5), with molecular formula C21H17ClN2OS2 and molecular weight 412.05 g/mol. IUPAC: [5-(4-chlorophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]-thiophen-2-ylmethanol.
Chemical Property Profile of 6K-583S
Property Insights of 6K-583S
The XLogP value of 6.0349 indicates that 6K-583S 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-583S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6K-583S 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 6K-583S?
The CAS number of 6K-583S is 318949-16-5.
What is the molecular formula of 6K-583S?
The molecular formula of 6K-583S is C21H17ClN2OS2.
What is the molecular weight of 6K-583S?
The molecular weight of 6K-583S is 412.05 g/mol.
Where can I buy 6K-583S?
You can request a quote for 6K-583S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6K-583S?
Yes, KEHONG BIO provides custom synthesis services for 6K-583S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.