4K-306S
TL;DR: 4K-306S (CAS 318247-44-8) is a chemical compound with molecular formula C25H23N3O2S and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]methyl N-phenylcarbamate
Also Known As: 4K-306S, {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methyl N-phenylcarbamate, [1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]methyl N-phenylcarbamate, [1-methyl-5-(4-methylphenyl)sulfanyl-3-phenyl-pyrazol-4-yl]methyl N-phenylcarbamate, {1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methylN-phenylcarbamate
| Molecular Formula | C25H23N3O2S |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 6.29542 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.1511 |
| Heavy Atoms | 31 |
| Complexity | 1156.8636 |
Chemical Identifiers
| CAS Number | 318247-44-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)NC4=CC=CC=C4 |
Product Overview
4K-306S (CAS 318247-44-8), with molecular formula C25H23N3O2S and molecular weight 429.15 g/mol. IUPAC: [1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]methyl N-phenylcarbamate.
Chemical Property Profile of 4K-306S
Property Insights of 4K-306S
The XLogP value of 6.29542 indicates that 4K-306S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 4K-306S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4K-306S 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 4K-306S?
The CAS number of 4K-306S is 318247-44-8.
What is the molecular formula of 4K-306S?
The molecular formula of 4K-306S is C25H23N3O2S.
What is the molecular weight of 4K-306S?
The molecular weight of 4K-306S is 429.15 g/mol.
Where can I buy 4K-306S?
You can request a quote for 4K-306S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4K-306S?
Yes, KEHONG BIO provides custom synthesis services for 4K-306S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.