Octyl 5-(Diethylamino)-2-(phenylsulfonyl)-2,4-pentadienoate - CAS 98835-90-6
Catalog: |
BB042222 |
Product Name: |
Octyl 5-(Diethylamino)-2-(phenylsulfonyl)-2,4-pentadienoate |
CAS: |
98835-90-6 |
Synonyms: |
(2Z,4E)-2-(benzenesulfonyl)-5-(diethylamino)penta-2,4-dienoic acid octyl ester; octyl (2Z,4E)-2-(benzenesulfonyl)-5-(diethylamino)penta-2,4-dienoate |
IUPAC Name: | octyl (2Z,4E)-2-(benzenesulfonyl)-5-(diethylamino)penta-2,4-dienoate |
Description: | Octyl 5-(Diethylamino)-2-(phenylsulfonyl)-2,4-pentadienoate (CAS# 98835-90-6 ) is a useful research chemical. |
Molecular Weight: | 421.59 |
Molecular Formula: | C23H35NO4S |
Canonical SMILES: | CCCCCCCCOC(=O)C(=CC=CN(CC)CC)S(=O)(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C23H35NO4S/c1-4-7-8-9-10-14-20-28-23(25)22(18-15-19-24(5-2)6-3)29(26,27)21-16-12-11-13-17-21/h11-13,15-19H,4-10,14,20H2,1-3H3/b19-15+,22-18- |
InChI Key: | LBNUXTQQOXBRAR-QTAZYSQYSA-N |
LogP: | 6.18420 |
Publication Number | Title | Priority Date |
US-2020281869-A1 | Topical compositions containing low molecular weight chitosan derivatives | 20190108 |
WO-2020146353-A1 | Topical compositions containing low molecular weight chitosan derivatives | 20190108 |
WO-2019044138-A1 | Photosensitive transfer material, method of manufacturing the same, and method of manufacturing circuit wiring | 20170828 |
US-2021139708-A1 | Composition, film, near infrared cut filter, laminate, pattern forming method, solid image pickup element, image display device, infrared sensor, and color filter | 20160129 |
WO-2015078554-A1 | Mixtures of creatine or creatinine and glucuronolactones | 20131126 |
Complexity: | 609 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 421.22867977 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 421.22867977 |
Rotatable Bond Count: | 15 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.3 |
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