4-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenoxy]-3,5-diiodobenzenepropanoic acid is a complex organic compound with the chemical formula C25H31IO4. It is a derivative of benzenepropanoic acid, featuring a 4-hydroxyphenoxy group and two iodine atoms attached to the benzene ring. The compound is characterized by the presence of two tert-butyl groups (1,1-dimethylethyl) attached to the hydroxyphenoxy moiety, which contribute to its stability and lipophilic properties. This chemical structure is significant in the field of pharmaceuticals, as it is the active ingredient in a drug used for the treatment of certain thyroid disorders. The compound's unique structure allows it to selectively target and inhibit the enzyme thyroid peroxidase, which is crucial in the synthesis of thyroid hormones. Its therapeutic use is based on its ability to regulate thyroid function, making it an important compound in endocrinology.
551-90-6
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Basic information
- Product Name: 4-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenoxy]-3,5-diiodobenzenepropanoic acid
- Synonyms: 4-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenoxy]-3,5-diiodobenzenepropanoic acid;Hinderin
- CAS NO:551-90-6
- Molecular Formula: C23H28I2O4
- Molecular Weight: 622.28
- EINECS: N/A
- Product Categories: N/A
- Mol File: 551-90-6.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 549.1°C at 760 mmHg
- Flash Point: 285.9°C
- Appearance: /
- Density: 1.637g/cm3
- Vapor Pressure: 6.85E-13mmHg at 25°C
- Refractive Index: 1.616
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 4-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenoxy]-3,5-diiodobenzenepropanoic acid(CAS DataBase Reference)
- NIST Chemistry Reference: 4-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenoxy]-3,5-diiodobenzenepropanoic acid(551-90-6)
- EPA Substance Registry System: 4-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenoxy]-3,5-diiodobenzenepropanoic acid(551-90-6)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 551-90-6(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 551-90-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,5 and 1 respectively; the second part has 2 digits, 9 and 0 respectively.Calculate Digit Verification of CAS Registry Number 551-90:
(5*5)+(4*5)+(3*1)+(2*9)+(1*0)=66
66 % 10 = 6
So 551-90-6 is a valid CAS Registry Number.
InChI:InChI=1/C23H28I2O4/c1-22(2,3)15-11-14(12-16(20(15)28)23(4,5)6)29-21-17(24)9-13(10-18(21)25)7-8-19(26)27/h9-12,28H,7-8H2,1-6H3,(H,26,27)
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4-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenoxy]-3,5-diiodobenzenepropanoic acid
