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Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- structure
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Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-

TL;DR: Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- (CAS 78521-39-8) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.1035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

6-[(4-methylphenyl)sulfonylamino]hexanoic acid

Also Known As: 6-(4-Methylphenylsulfonamido)hexanoic acid, 5-Fluoro-1H-indazole, Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-, Maybridge1_002357, CBChromo1_000075

CAS Number
78521-39-8
Molecular Formula
C13H19NO4S
Molecular Weight
285.1035 g/mol
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Application Areas

Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (1 patents) Heterocyclic Building Blocks (4 patents) Lubricants & Additives (5 patents) Organic Building Blocks (2 patents) Specialty Chemicals (2 patents)

Technical Specifications

Molecular FormulaC13H19NO4S
Molecular Weight285.1035 g/mol
XLogP1.8
Topological Polar Surface Area (TPSA)91.9 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds8
Exact Mass285.1035 Da
Heavy Atoms19
Complexity367.0
SMILESCC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(=O)O
InChIKeyGLKZGJGPYOFPKV-UHFFFAOYSA-N

Chemical Property Profile of Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-

XLogP
1.8
TPSA (Topological Polar Surface Area)
91.9
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
8
Heavy Atoms
19
Complexity
367.0
Exact Mass
285.1035
Monoisotopic Mass
285.1035
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-

The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-. Following Lipinski's Rule of Five, Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-?

The CAS number of Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- is 78521-39-8.

What is the molecular formula of Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-?

The molecular formula of Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- is C13H19NO4S.

What is the molecular weight of Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-?

The molecular weight of Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- is 285.1035 g/mol.

Where can I buy Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-?

You can request a quote for Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-?

Yes, CoreyChem provides custom synthesis services for Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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