3-(cyclopentyloxy)-4-methoxybenzoic acid - CAS 144036-17-9
Catalog: |
BB009710 |
Product Name: |
3-(cyclopentyloxy)-4-methoxybenzoic acid |
CAS: |
144036-17-9 |
Synonyms: |
3-cyclopentyloxy-4-methoxybenzoic acid; 3-cyclopentyloxy-4-methoxybenzoic acid |
IUPAC Name: | 3-cyclopentyloxy-4-methoxybenzoic acid |
Description: | 3-(cyclopentyloxy)-4-methoxybenzoic acid (CAS# 144036-17-9) is a useful research chemical. |
Molecular Weight: | 236.26 |
Molecular Formula: | C13H16O4 |
Canonical SMILES: | COC1=C(C=C(C=C1)C(=O)O)OC2CCCC2 |
InChI: | InChI=1S/C13H16O4/c1-16-11-7-6-9(13(14)15)8-12(11)17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,15) |
InChI Key: | RVADCQWIQKYXBJ-UHFFFAOYSA-N |
Boiling Point: | 376.3 °C at 760 mmHg |
Density: | 1.213 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00219797 |
LogP: | 2.71480 |
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 |
WO-2019079609-A1 | SEH / PDE4 DOUBLE INHIBITORS AVAILABLE ORAL | 20171020 |
CN-105646399-A | Benzamide human PDE4B (phosphodiesterase 4B) inhibitor obtained through condensation of isovanillic acid derivative and saturated small cyclic amine | 20160218 |
CN-105646399-B | An unusually sweet smell orchid acid derivative and the small cyclammonium condensation gained benzamides people's PDE4B inhibitor of saturation | 20160218 |
EP-2907806-A1 | New compounds as selective PDE4D inhibitors | 20140214 |
EP-3105206-A1 | New compounds having a selective pde4d inhibiting activity | 20140214 |
PMID | Publication Date | Title | Journal |
14987986 | 20040301 | Synthesis and biological evaluation of neutrophilic inflammation inhibitors | Farmaco (Societa chimica italiana : 1989) |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.10485899 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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