12P-109
TL;DR: 12P-109 (CAS 477709-73-2) is a chemical compound with molecular formula C25H22FN3O2 and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(3-fluoro-4-phenylphenoxy)ethyl]-N-(4-methylphenyl)pyrazole-1-carboxamide
Also Known As: 12P-109, 3-{1-[(2-fluoro[1,1'-biphenyl]-4-yl)oxy]ethyl}-N-(4-methylphenyl)-1H-pyrazole-1-carboxamide, 3-[1-(3-fluoro-4-phenylphenoxy)ethyl]-N-(4-methylphenyl)pyrazole-1-carboxamide, 3-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]-N-(4-methylphenyl)-1H-pyrazole-1-carboxamide, 3-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]-N-(4-methylphenyl)pyrazole-1-carboxamide
| Molecular Formula | C25H22FN3O2 |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 6.21782 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.16962 |
| Heavy Atoms | 31 |
| Complexity | 1187.1349 |
Chemical Identifiers
| CAS Number | 477709-73-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)N2C=CC(=N2)C(C)OC3=CC(=C(C=C3)C4=CC=CC=C4)F |
Product Overview
12P-109 (CAS 477709-73-2), with molecular formula C25H22FN3O2 and molecular weight 415.17 g/mol. IUPAC: 3-[1-(3-fluoro-4-phenylphenoxy)ethyl]-N-(4-methylphenyl)pyrazole-1-carboxamide.
Chemical Property Profile of 12P-109
Property Insights of 12P-109
The XLogP value of 6.21782 indicates that 12P-109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, 12P-109 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12P-109 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12P-109?
The CAS number of 12P-109 is 477709-73-2.
What is the molecular formula of 12P-109?
The molecular formula of 12P-109 is C25H22FN3O2.
What is the molecular weight of 12P-109?
The molecular weight of 12P-109 is 415.17 g/mol.
Where can I buy 12P-109?
You can request a quote for 12P-109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12P-109?
Yes, KEHONG BIO provides custom synthesis services for 12P-109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.