![3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid structure](/static/products/4406/440646-74-2.webp)
3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid
TL;DR: 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid (CAS 440646-74-2) is a chemical compound with molecular formula C12H16FNO4S and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
Also Known As: ChemDiv3_013071, 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid, 3-(4-fluorobenzenesulfonamido)-4-methylpentanoic acid, 3-[(4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid, VU0081664-2
| Molecular Formula | C12H16FNO4S |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 1.6033 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.0784 |
| Heavy Atoms | 19 |
| Complexity | 539.3527 |
Chemical Identifiers
| CAS Number | 440646-74-2 |
|---|---|
| SMILES | CC(C)C(CC(=O)O)NS(=O)(=O)C1=CC=C(C=C1)F |
Product Overview
3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid (CAS 440646-74-2), with molecular formula C12H16FNO4S and molecular weight 289.08 g/mol. IUPAC: 3-[(4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid.
Chemical Property Profile of 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid
Property Insights of 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid
The XLogP value of 1.6033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid. Following Lipinski's Rule of Five, 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid has 2 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 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid?
The CAS number of 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid is 440646-74-2.
What is the molecular formula of 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid?
The molecular formula of 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid is C12H16FNO4S.
What is the molecular weight of 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid?
The molecular weight of 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid is 289.08 g/mol.
Where can I buy 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid?
You can request a quote for 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Fluorophenyl)sulfonyl]amino}-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.