Tetrahydropyran-4-methanol - CAS 14774-37-9
Catalog: |
BB010231 |
Product Name: |
Tetrahydropyran-4-methanol |
CAS: |
14774-37-9 |
Synonyms: |
4-oxanylmethanol; oxan-4-ylmethanol |
IUPAC Name: | oxan-4-ylmethanol |
Description: | Tetrahydropyran-4-methanol (CAS# 14774-37-9) is used as a reagent in the identification and optimization of pteridinone Toll-like receptor 7 agonists, which can be used for the oral treatment of viral hepatitis. 4-(Hydroxymethyl)tetrahydropyran is also a starting material for [1-[(Tetrahydro-2H-pyran-4-yl)methyl]-1H-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone which is a drug that acts as CB2 cannabinoid receptor agonist. |
Molecular Weight: | 116.16 |
Molecular Formula: | C6H12O2 |
Canonical SMILES: | C1COCCC1CO |
InChI: | InChI=1S/C6H12O2/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2 |
InChI Key: | YSNVSVCWTBLLRW-UHFFFAOYSA-N |
Boiling Point: | 105-110 °C |
Density: | 1 g/cm3 |
MDL: | MFCD00457804 |
LogP: | 0.40530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021284670-A1 | Antiviral compounds | 20200218 |
WO-2021167882-A1 | Antiviral compounds | 20200218 |
WO-2021168038-A1 | Antiviral compounds | 20200218 |
WO-2021158936-A1 | Pyrrolo [2,3-b]pyridine-3-carboxamide compositions and methods for ameliorating hearing loss | 20200205 |
WO-2021122415-A1 | Furoindazole derivatives | 20191219 |
Complexity: | 57.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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