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3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid structure
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3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid

TL;DR: 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid (CAS 1007971-46-1) is a chemical compound with molecular formula C13H15N3O5S and molecular weight 325.07324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-(1H-imidazol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid

Also Known As: ((4-Methoxyphenyl)sulfonyl)histidine, 3-(1H-imidazol-4-yl)-2-(4-methoxybenzenesulfonamido)propanoic acid, 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid, 3-(1H-imidazol-4-yl)-2-(4-methoxybenzenesulfonamido)propanoicacid, 3-imidazol-4-yl-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid

CAS Number
1007971-46-1
Molecular Formula
C13H15N3O5S
Molecular Weight
325.07324 g/mol
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Technical Specifications

Molecular FormulaC13H15N3O5S
Molecular Weight325.07324 g/mol
XLogP0.6
Topological Polar Surface Area (TPSA)130.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors7
Rotatable Bonds7
Exact Mass325.07324 Da
Heavy Atoms22
Complexity471.0
SMILESCOC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CN=CN2)C(=O)O
InChIKeyXCFMYDKRJDDNNX-UHFFFAOYSA-N

Chemical Property Profile of 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid

XLogP
0.6
TPSA (Topological Polar Surface Area)
130.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
Rotatable Bonds
7
Heavy Atoms
22
Complexity
471.0
Exact Mass
325.07324
Monoisotopic Mass
325.07324
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 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid

The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid. Following Lipinski's Rule of Five, 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid?

The CAS number of 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid is 1007971-46-1.

What is the molecular formula of 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid?

The molecular formula of 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid is C13H15N3O5S.

What is the molecular weight of 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid?

The molecular weight of 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid is 325.07324 g/mol.

Where can I buy 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid?

You can request a quote for 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid?

Yes, CoreyChem provides custom synthesis services for 3-(1H-imidazol-4-yl)-2-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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