Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride
TL;DR: Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride (CAS 4092-87-9) is a chemical compound with molecular formula C13H19ClFNO2 and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoroethyl-[4-(4-methoxy-4-oxobutyl)phenyl]azanium chloride
Also Known As: 4-(p-((2-Fluoroethyl)amino)phenyl)butyric acid methyl ester hydrochloride, BUTYRIC ACID, 4-(p-((2-FLUOROETHYL)AMINO)PHENYL)-, METHYL ESTER, HYDROCHLORIDE, 2-fluoroethyl-[4-(4-methoxy-4-oxobutyl)phenyl]azanium chloride, RefChem:1080485
| Molecular Formula | C13H19ClFNO2 |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | -1.65 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 275.10883 |
| Heavy Atoms | 18 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 4092-87-9 |
|---|---|
| SMILES | COC(=O)CCCC1=CC=C(C=C1)[NH2+]CCF.[Cl-] |
| InChIKey | SLGMOXBVBQFDAQ-UHFFFAOYSA-N |
Product Overview
Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride (CAS 4092-87-9), with molecular formula C13H19ClFNO2 and molecular weight 275.11 g/mol. IUPAC: 2-fluoroethyl-[4-(4-methoxy-4-oxobutyl)phenyl]azanium chloride.
Chemical Property Profile of Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride
Property Insights of Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride
The XLogP value of -1.65 indicates that Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.9 Ų, Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride has 1 hydrogen bond donor(s) and 4 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 Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride?
The CAS number of Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride is 4092-87-9.
What is the molecular formula of Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride?
The molecular formula of Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride is C13H19ClFNO2.
What is the molecular weight of Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride?
The molecular weight of Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride is 275.11 g/mol.
Where can I buy Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride?
You can request a quote for Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 4-(p-((2-fluoroethyl)amino)phenyl)-, methyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.