4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate
TL;DR: 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate (CAS 303133-84-8) is a chemical compound with molecular formula C15H16F5NO3 and molecular weight 353.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5,5,5-pentafluoropentyl 4-anilino-4-oxobutanoate
Also Known As: 4,4,5,5,5-pentafluoropentyl 4-oxo-4-(phenylamino)butanoate, BIM-0019350.P001, 4,4,5,5,5-pentafluoropentyl 4-anilino-4-oxobutanoate, 4,4,5,5,5-pentafluoropentyl 3-(phenylcarbamoyl)propanoate, 4,4,5,5,5-pentafluoropentyl 3-(N-phenylcarbamoyl)propanoate
| Molecular Formula | C15H16F5NO3 |
|---|---|
| Molecular Weight | 353.11 g/mol |
| LogP | 3.9263 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.10504 |
| Heavy Atoms | 24 |
| Complexity | 545.7905 |
Chemical Identifiers
| CAS Number | 303133-84-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CCC(=O)OCCCC(C(F)(F)F)(F)F |
Product Overview
4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate (CAS 303133-84-8), with molecular formula C15H16F5NO3 and molecular weight 353.11 g/mol. IUPAC: 4,4,5,5,5-pentafluoropentyl 4-anilino-4-oxobutanoate.
Chemical Property Profile of 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate
Property Insights of 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate
The XLogP value of 3.9263 indicates that 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate?
The CAS number of 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate is 303133-84-8.
What is the molecular formula of 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate?
The molecular formula of 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate is C15H16F5NO3.
What is the molecular weight of 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate?
The molecular weight of 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate is 353.11 g/mol.
Where can I buy 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate?
You can request a quote for 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4,4,5,5,5-Pentafluoropentyl 4-oxo-4-(phenylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.