2-Methyl-5-phenylbenzoxazole - CAS 61931-68-8
Catalog: |
BB031336 |
Product Name: |
2-Methyl-5-phenylbenzoxazole |
CAS: |
61931-68-8 |
Synonyms: |
2-methyl-5-phenyl-1,3-benzoxazole |
IUPAC Name: | 2-methyl-5-phenyl-1,3-benzoxazole |
Description: | 2-Methyl-5-phenylbenzoxazole (CAS# 61931-68-8) is a useful research chemical. |
Molecular Weight: | 209.24 |
Molecular Formula: | C14H11NO |
Canonical SMILES: | CC1=NC2=C(O1)C=CC(=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C14H11NO/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3 |
InChI Key: | CHZDPBVCBBQQRP-UHFFFAOYSA-N |
Boiling Point: | 350 °C at 760 mmHg |
Melting Point: | 58-59 °C |
Purity: | 95 % |
Density: | 1.155 g/cm3 |
Appearance: | Beige fine crystalline powder |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
LogP: | 3.80320 |
GHS Hazard Statement: | H301 (97.56%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020116971-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
KR-20200068994-A | Compound for inhibiting PDE9A and medical uses thereof | 20181206 |
CN-113166161-A | Compound with PDE9A inhibitory activity and pharmaceutical use thereof | 20181206 |
EP-3892623-A1 | Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof | 20181206 |
KR-20190063855-A | Polymethine compound | 20171130 |
PMID | Publication Date | Title | Journal |
22145115 | 20111001 | Study on cytochrome p-450 dependent retinoic Acid metabolism and its inhibitors as potential agents for cancer therapy | Scientia pharmaceutica |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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