Fexofenadinone
TL;DR: Fexofenadinone (CAS 76811-98-8) is a chemical compound with molecular formula C32H37NO4 and molecular weight 499.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoic acid
Also Known As: Fexofenadinone, Ketofexofenadine, Keto-fexofenadine, Fexofenadine EP Impurity A, Fexofendine impurityc A
| Molecular Formula | C32H37NO4 |
|---|---|
| Molecular Weight | 499.27 g/mol |
| LogP | 5.6598 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.27225 |
| Heavy Atoms | 37 |
| Complexity | 1140.9773 |
Chemical Identifiers
| CAS Number | 76811-98-8 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)O |
Product Overview
Fexofenadinone (CAS 76811-98-8), with molecular formula C32H37NO4 and molecular weight 499.27 g/mol. IUPAC: 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoic acid.
Chemical Property Profile of Fexofenadinone
Property Insights of Fexofenadinone
The XLogP value of 5.6598 indicates that Fexofenadinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Fexofenadinone. Following Lipinski's Rule of Five, Fexofenadinone 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 Fexofenadinone?
The CAS number of Fexofenadinone is 76811-98-8.
What is the molecular formula of Fexofenadinone?
The molecular formula of Fexofenadinone is C32H37NO4.
What is the molecular weight of Fexofenadinone?
The molecular weight of Fexofenadinone is 499.27 g/mol.
Where can I buy Fexofenadinone?
You can request a quote for Fexofenadinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fexofenadinone?
Yes, KEHONG BIO provides custom synthesis services for Fexofenadinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.