4K-314S
TL;DR: 4K-314S (CAS 318247-46-0) is a chemical compound with molecular formula C25H21ClN2O3 and molecular weight 432.12 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 2-chlorobenzoate
Also Known As: 4K-314S, [1-methyl-5-(4-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl 2-chlorobenzenecarboxylate, [1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl 2-chlorobenzoate, [1-methyl-5-(4-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl 2-chlorobenzoate, [1-methyl-5-(4-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methyl2-chlorobenzoate
| Molecular Formula | C25H21ClN2O3 |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 6.19822 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.12408 |
| Heavy Atoms | 31 |
| Complexity | 1201.4315 |
Chemical Identifiers
| CAS Number | 318247-46-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4Cl |
Product Overview
4K-314S (CAS 318247-46-0), with molecular formula C25H21ClN2O3 and molecular weight 432.12 g/mol. IUPAC: [1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl 2-chlorobenzoate.
Chemical Property Profile of 4K-314S
Property Insights of 4K-314S
The XLogP value of 6.19822 indicates that 4K-314S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, 4K-314S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4K-314S 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 4K-314S?
The CAS number of 4K-314S is 318247-46-0.
What is the molecular formula of 4K-314S?
The molecular formula of 4K-314S is C25H21ClN2O3.
What is the molecular weight of 4K-314S?
The molecular weight of 4K-314S is 432.12 g/mol.
Where can I buy 4K-314S?
You can request a quote for 4K-314S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4K-314S?
Yes, KEHONG BIO provides custom synthesis services for 4K-314S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.