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Cromolyn sulfate structure
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Cromolyn sulfate

TL;DR: Cromolyn sulfate (CAS 107032-81-5) is a chemical compound with molecular formula C23H16O14S and molecular weight 548.02606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-sulfooxypropoxy]-4-oxochromene-2-carboxylic acid

Also Known As: Cromolyn sulfate, 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-sulfooxypropoxy]-4-oxochromene-2-carboxylic acid, 4H-1-Benzopyran-2-carboxylicacid, 5,5'-[[2-(sulfooxy)-1,3-propanediyl]bis(oxy)]bis[4-oxo-, 4H-1-Benzopyran-2-carboxylic acid, 5,5'-((2-(sulfooxy)-1,3-propanediyl)bis(oxy))bis(4-oxo-, 5,5'-{[2-(Sulfooxy)propane-1,3-diyl]bis(oxy)}bis(4-oxo-4H-1-benzopyran-2-carboxylic acid)

CAS Number
107032-81-5
Molecular Formula
C23H16O14S
Molecular Weight
548.02606 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) Analytical Reagents (3 patents) Biotechnology (4 patents) Heterocyclic Building Blocks (10 patents) Pharmaceutical Intermediates (19 patents)

Technical Specifications

Molecular FormulaC23H16O14S
Molecular Weight548.02606 g/mol
XLogP1.5
Topological Polar Surface Area (TPSA)218.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors14
Rotatable Bonds10
Exact Mass548.02606 Da
Heavy Atoms38
Complexity1060.0
SMILESC1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)OS(=O)(=O)O)C(=O)C=C(O2)C(=O)O
InChIKeyKOMKRTNQZYEQST-UHFFFAOYSA-N

Chemical Property Profile of Cromolyn sulfate

XLogP
1.5
TPSA (Topological Polar Surface Area)
218.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
14
Rotatable Bonds
10
Heavy Atoms
38
Complexity
1060.0
Exact Mass
548.02606
Monoisotopic Mass
548.02606
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 Cromolyn sulfate

The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cromolyn sulfate. The TPSA of 218.0 Ų indicates high polarity, suggesting Cromolyn sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cromolyn sulfate has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Cromolyn sulfate?

The CAS number of Cromolyn sulfate is 107032-81-5.

What is the molecular formula of Cromolyn sulfate?

The molecular formula of Cromolyn sulfate is C23H16O14S.

What is the molecular weight of Cromolyn sulfate?

The molecular weight of Cromolyn sulfate is 548.02606 g/mol.

Where can I buy Cromolyn sulfate?

You can request a quote for Cromolyn sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Cromolyn sulfate?

Yes, CoreyChem provides custom synthesis services for Cromolyn sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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