84-B10
TL;DR: 84-B10 (CAS 698346-43-9) is a chemical compound with molecular formula C25H22F3NO5 and molecular weight 473.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid
Also Known As: 5-((2-(4-Methoxyphenoxy)-5-(trifluoromethyl)phenyl)amino)-5-oxo-3-phenylpentanoic acid, 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid, 4-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]-3-phenyl-butanoic Acid
| Molecular Formula | C25H22F3NO5 |
|---|---|
| Molecular Weight | 473.15 g/mol |
| LogP | 6.0934 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.14502 |
| Heavy Atoms | 34 |
| Complexity | 1131.5381 |
Chemical Identifiers
| CAS Number | 698346-43-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)CC(CC(=O)O)C3=CC=CC=C3 |
Product Overview
84-B10 (CAS 698346-43-9), with molecular formula C25H22F3NO5 and molecular weight 473.15 g/mol. IUPAC: 5-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)anilino]-5-oxo-3-phenylpentanoic acid.
Chemical Property Profile of 84-B10
Property Insights of 84-B10
The XLogP value of 6.0934 indicates that 84-B10 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 84-B10. Following Lipinski's Rule of Five, 84-B10 has 2 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 84-B10?
The CAS number of 84-B10 is 698346-43-9.
What is the molecular formula of 84-B10?
The molecular formula of 84-B10 is C25H22F3NO5.
What is the molecular weight of 84-B10?
The molecular weight of 84-B10 is 473.15 g/mol.
Where can I buy 84-B10?
You can request a quote for 84-B10 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 84-B10?
Yes, KEHONG BIO provides custom synthesis services for 84-B10 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.