2-(4-Fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene - CAS 898566-17-1
Catalog: |
BB039650 |
Product Name: |
2-(4-Fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene |
CAS: |
898566-17-1 |
Synonyms: |
2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene; 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene |
IUPAC Name: | 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene |
Description: | 2-(4-Fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene (CAS# 898566-17-1) is an antidiabetic agent and a Canagliflozin (C175190) intermediate. Canagliflozin is a sodium/glucose cotransporter 2 (SGLT2) inhibitor and a candidate for the treatment of type 2 diabetes and obesity. |
Molecular Weight: | 408.27 |
Molecular Formula: | C18H14FIS |
Canonical SMILES: | CC1=C(C=C(C=C1)I)CC2=CC=C(S2)C3=CC=C(C=C3)F |
InChI: | InChI=1S/C18H14FIS/c1-12-2-7-16(20)10-14(12)11-17-8-9-18(21-17)13-3-5-15(19)6-4-13/h2-10H,11H2,1H3 |
InChI Key: | MGXZKAYHSITHMW-UHFFFAOYSA-N |
Boiling Point: | 450.2 °C at 760 mmHg |
Density: | 1.533 g/cm3 |
MDL: | MFCD12405593 |
LogP: | 6.05800 |
GHS Hazard Statement: | H302 (92.68%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112375076-A | Novel method for synthesizing canagliflozin | 20201123 |
CN-111560004-A | Preparation method of high-purity canagliflozin intermediate | 20200430 |
CN-110981851-A | Preparation method of canagliflozin impurity | 20191224 |
CN-110845469-A | Preparation method of canagliflozin intermediate | 20191211 |
CN-110950833-A | Preparation method of 2- (4-fluorophenyl) -5- [ (5-bromo-2-methylphenyl) methyl ] thiophene | 20191211 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 407.98450 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 407.98450 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.3 |
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