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N-formamidosalicylic acid structure
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N-formamidosalicylic acid

TL;DR: N-formamidosalicylic acid (CAS 104786-99-4) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-formamido-2-hydroxybenzoic acid

Also Known As: N-Formyl Mesalazine, N-Formamidosalicylic acid, 5-formamido-2-hydroxybenzoic acid, N-Formyl-5-asa, Mesalazine Impurity 29

CAS Number
104786-99-4
Molecular Formula
C8H7NO4
Molecular Weight
181.0375 g/mol
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Application Areas

Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (8 patents) Organic Building Blocks (4 patents) Pharmaceutical Intermediates (1 patents)

Technical Specifications

Molecular FormulaC8H7NO4
Molecular Weight181.0375 g/mol
XLogP1.7
Topological Polar Surface Area (TPSA)86.6 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors4
Rotatable Bonds2
Exact Mass181.0375 Da
Heavy Atoms13
Complexity206.0
SMILESC1=CC(=C(C=C1NC=O)C(=O)O)O
InChIKeyQGAYHKZPLHBHSD-UHFFFAOYSA-N

Chemical Property Profile of N-formamidosalicylic acid

XLogP
1.7
TPSA (Topological Polar Surface Area)
86.6
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
13
Complexity
206.0
Exact Mass
181.0375
Monoisotopic Mass
181.0375
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 N-formamidosalicylic acid

The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-formamidosalicylic acid. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-formamidosalicylic acid. Following Lipinski's Rule of Five, N-formamidosalicylic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N-formamidosalicylic acid?

The CAS number of N-formamidosalicylic acid is 104786-99-4.

What is the molecular formula of N-formamidosalicylic acid?

The molecular formula of N-formamidosalicylic acid is C8H7NO4.

What is the molecular weight of N-formamidosalicylic acid?

The molecular weight of N-formamidosalicylic acid is 181.0375 g/mol.

Where can I buy N-formamidosalicylic acid?

You can request a quote for N-formamidosalicylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-formamidosalicylic acid?

Yes, CoreyChem provides custom synthesis services for N-formamidosalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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