RefChem:203990
TL;DR: RefChem:203990 (CAS 161692-97-3) is a chemical compound with molecular formula C25H25F2NO3 and molecular weight 425.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid;(1R)-1-phenylethanamine
Also Known As: (1R)-1-phenylethanamine, 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid;(1R)-1-phenylethanamine, (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, (+-)-, salt with (R)-(+)-alpha-methylbenzenemethanamine (1:1), 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxo-butanoic acid, (1R)-1- phenylethanamine, 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxo-butanoic Acid; (1R)-1-phenylethanamine
| Molecular Formula | C25H25F2NO3 |
|---|---|
| Molecular Weight | 425.18 g/mol |
| LogP | 5.6316 |
| Topological Polar Surface Area | 80.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.18024 |
| Heavy Atoms | 31 |
| Complexity | 1018.6969 |
Chemical Identifiers
| CAS Number | 161692-97-3 |
|---|---|
| SMILES | C[C@H](C1=CC=CC=C1)N.CC(CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)C(=O)O |
Product Overview
RefChem:203990 (CAS 161692-97-3), with molecular formula C25H25F2NO3 and molecular weight 425.18 g/mol. IUPAC: 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid;(1R)-1-phenylethanamine.
Chemical Property Profile of RefChem:203990
Property Insights of RefChem:203990
The XLogP value of 5.6316 indicates that RefChem:203990 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.39 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:203990. Following Lipinski's Rule of Five, RefChem:203990 has 2 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 RefChem:203990?
The CAS number of RefChem:203990 is 161692-97-3.
What is the molecular formula of RefChem:203990?
The molecular formula of RefChem:203990 is C25H25F2NO3.
What is the molecular weight of RefChem:203990?
The molecular weight of RefChem:203990 is 425.18 g/mol.
Where can I buy RefChem:203990?
You can request a quote for RefChem:203990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:203990?
Yes, KEHONG BIO provides custom synthesis services for RefChem:203990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.