N-(4-fluorophenyl)isobutyramide
TL;DR: N-(4-fluorophenyl)isobutyramide (CAS 348594-39-8) is a chemical compound with molecular formula C10H12FNO and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-methylpropanamide
Also Known As: N-(4-fluorophenyl)isobutyramide, N-(4-fluorophenyl)-2-methylpropanamide, Propanamide, N-(4-fluorophenyl)-2-methyl-, AN-652/10427003, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(3-methoxyphenyl)-4-methyl-
| Molecular Formula | C10H12FNO |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.09029 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 348594-39-8 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=C(C=C1)F |
| InChIKey | XYITWGGFWSDVMU-UHFFFAOYSA-N |
Product Overview
N-(4-fluorophenyl)isobutyramide (CAS 348594-39-8), with molecular formula C10H12FNO and molecular weight 181.09 g/mol. IUPAC: N-(4-fluorophenyl)-2-methylpropanamide.
Chemical Property Profile of N-(4-fluorophenyl)isobutyramide
Property Insights of N-(4-fluorophenyl)isobutyramide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorophenyl)isobutyramide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(4-fluorophenyl)isobutyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluorophenyl)isobutyramide has 1 hydrogen bond donor(s) and 2 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 N-(4-fluorophenyl)isobutyramide?
The CAS number of N-(4-fluorophenyl)isobutyramide is 348594-39-8.
What is the molecular formula of N-(4-fluorophenyl)isobutyramide?
The molecular formula of N-(4-fluorophenyl)isobutyramide is C10H12FNO.
What is the molecular weight of N-(4-fluorophenyl)isobutyramide?
The molecular weight of N-(4-fluorophenyl)isobutyramide is 181.09 g/mol.
Where can I buy N-(4-fluorophenyl)isobutyramide?
You can request a quote for N-(4-fluorophenyl)isobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorophenyl)isobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)isobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.