2-(2,5-Dimethyl-1-pyrrolyl)thiophene-3-carboxylic Acid - CAS 478077-98-4
Catalog: |
BB026403 |
Product Name: |
2-(2,5-Dimethyl-1-pyrrolyl)thiophene-3-carboxylic Acid |
CAS: |
478077-98-4 |
Synonyms: |
2-(2,5-dimethyl-1-pyrrolyl)-3-thiophenecarboxylic acid; 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid |
IUPAC Name: | 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid |
Description: | 2-(2,5-Dimethyl-1-pyrrolyl)thiophene-3-carboxylic Acid (CAS# 478077-98-4) is a useful research chemical. |
Molecular Weight: | 221.28 |
Molecular Formula: | C11H11NO2S |
Canonical SMILES: | CC1=CC=C(N1C2=C(C=CS2)C(=O)O)C |
InChI: | InChI=1S/C11H11NO2S/c1-7-3-4-8(2)12(7)10-9(11(13)14)5-6-15-10/h3-6H,1-2H3,(H,13,14) |
InChI Key: | CZQNWEPGEWPUHA-UHFFFAOYSA-N |
MDL: | MFCD01312401 |
LogP: | 2.85380 |
Publication Number | Title | Priority Date |
US-2018153934-A1 | Arsenic trioxide for treatment of pin1-associated disorders | 20161202 |
US-10980835-B2 | Arsenic trioxide for treatment of PIN1-associated disorders | 20161202 |
US-10413548-B2 | Methods and compositions for the inhibition of Pin1 | 20120607 |
US-2015133442-A1 | Methods and compositions for the inhibition of pin1 | 20120607 |
US-2017304310-A1 | Methods and compositions for the inhibition of pin1 | 20120607 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.05104977 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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