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2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid structure
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2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid

TL;DR: 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid (CAS 159505-46-1) is a chemical compound with molecular formula C16H17NO5S and molecular weight 335.08273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid

Also Known As: H-Tyr(Tos)-OH, Dansyl derivatives 22A, (S) isomer, 2-amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic Acid

CAS Number
159505-46-1
Molecular Formula
C16H17NO5S
Molecular Weight
335.08273 g/mol
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Technical Specifications

Molecular FormulaC16H17NO5S
Molecular Weight335.08273 g/mol
XLogP0.1
Topological Polar Surface Area (TPSA)115.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds6
Exact Mass335.08273 Da
Heavy Atoms23
Complexity485.0
SMILESCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(C(=O)O)N
InChIKeyATXDONQDDITMNX-UHFFFAOYSA-N

Chemical Property Profile of 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid

XLogP
0.1
TPSA (Topological Polar Surface Area)
115.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
23
Complexity
485.0
Exact Mass
335.08273
Monoisotopic Mass
335.08273
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 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid

The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid. Following Lipinski's Rule of Five, 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid?

The CAS number of 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid is 159505-46-1.

What is the molecular formula of 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid?

The molecular formula of 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid is C16H17NO5S.

What is the molecular weight of 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid?

The molecular weight of 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid is 335.08273 g/mol.

Where can I buy 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid?

You can request a quote for 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid?

Yes, CoreyChem provides custom synthesis services for 2-Amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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