4K-331S
TL;DR: 4K-331S (CAS 318247-58-4) is a chemical compound with molecular formula C25H22ClN3O3 and molecular weight 447.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl N-(3-chlorophenyl)carbamate
Also Known As: 4K-331S, [1-methyl-5-(4-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl N-(3-chlorophenyl)carbamate, [1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl N-(3-chlorophenyl)carbamate, [1-methyl-5-(4-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methylN-(3-chlorophenyl)carbamate, [1-methyl-5-(4-methylphenoxy)-3-phenyl-pyrazol-4-yl]methyl N-(3-chlorophenyl)carbamate
| Molecular Formula | C25H22ClN3O3 |
|---|---|
| Molecular Weight | 447.13 g/mol |
| LogP | 6.58992 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.13498 |
| Heavy Atoms | 32 |
| Complexity | 1221.1781 |
Chemical Identifiers
| CAS Number | 318247-58-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)NC4=CC(=CC=C4)Cl |
Product Overview
4K-331S (CAS 318247-58-4), with molecular formula C25H22ClN3O3 and molecular weight 447.13 g/mol. IUPAC: [1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 4K-331S
Property Insights of 4K-331S
The XLogP value of 6.58992 indicates that 4K-331S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4K-331S. Following Lipinski's Rule of Five, 4K-331S 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-331S?
The CAS number of 4K-331S is 318247-58-4.
What is the molecular formula of 4K-331S?
The molecular formula of 4K-331S is C25H22ClN3O3.
What is the molecular weight of 4K-331S?
The molecular weight of 4K-331S is 447.13 g/mol.
Where can I buy 4K-331S?
You can request a quote for 4K-331S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4K-331S?
Yes, KEHONG BIO provides custom synthesis services for 4K-331S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.