5K-359S
TL;DR: 5K-359S (CAS 956986-56-4) is a chemical compound with molecular formula C24H20ClN3O2S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methyl N-(3-chlorophenyl)carbamate
Also Known As: 5K-359S, [1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]methyl N-(3-chlorophenyl)carbamate, (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methyl N-(3-chlorophenyl)carbamate, (1-methyl-3-phenyl-5-phenylsulfanyl-pyrazol-4-yl)methyl N-(3-chlorophenyl)carbamate, [1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]methylN-(3-chlorophenyl)carbamate
| Molecular Formula | C24H20ClN3O2S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 6.6404 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.09647 |
| Heavy Atoms | 31 |
| Complexity | 1180.1709 |
Chemical Identifiers
| CAS Number | 956986-56-4 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)NC3=CC(=CC=C3)Cl)SC4=CC=CC=C4 |
Product Overview
5K-359S (CAS 956986-56-4), with molecular formula C24H20ClN3O2S and molecular weight 449.10 g/mol. IUPAC: (1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)methyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 5K-359S
Property Insights of 5K-359S
The XLogP value of 6.6404 indicates that 5K-359S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 5K-359S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-359S 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 5K-359S?
The CAS number of 5K-359S is 956986-56-4.
What is the molecular formula of 5K-359S?
The molecular formula of 5K-359S is C24H20ClN3O2S.
What is the molecular weight of 5K-359S?
The molecular weight of 5K-359S is 449.10 g/mol.
Where can I buy 5K-359S?
You can request a quote for 5K-359S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-359S?
Yes, KEHONG BIO provides custom synthesis services for 5K-359S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.