1-[3-(Benzyloxy)propyl]-5-(2-oxopropyl)indoline-7-carbonitrile - CAS 1096141-50-2
Catalog: |
BB002519 |
Product Name: |
1-[3-(Benzyloxy)propyl]-5-(2-oxopropyl)indoline-7-carbonitrile |
CAS: |
1096141-50-2 |
Synonyms: |
5-(2-oxopropyl)-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile; 5-(2-oxopropyl)-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile |
IUPAC Name: | 5-(2-oxopropyl)-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile |
Description: | 1-[3-(Benzyloxy)propyl]-5-(2-oxopropyl)indoline-7-carbonitrile (CAS# 1096141-50-2 ) is a useful research chemical. |
Molecular Weight: | 348.44 |
Molecular Formula: | C22H24N2O2 |
Canonical SMILES: | CC(=O)CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOCC3=CC=CC=C3 |
InChI: | InChI=1S/C22H24N2O2/c1-17(25)12-19-13-20-8-10-24(22(20)21(14-19)15-23)9-5-11-26-16-18-6-3-2-4-7-18/h2-4,6-7,13-14H,5,8-12,16H2,1H3 |
InChI Key: | TWONHQUTOHFPQM-UHFFFAOYSA-N |
LogP: | 3.72418 |
Publication Number | Title | Priority Date |
EP-2984070-A1 | N-haloalkylindoline intermediates, their process and use in preparation of silodosin and its derivatives | 20130409 |
EP-2984070-B1 | N-haloalkylindoline intermediates, their process and use in preparation of silodosin and its derivatives | 20130409 |
US-10239833-B2 | Intermediates, their process and use in preparation of selective α1-adrenoceptor antagonists, Silodosin | 20130409 |
US-2016046577-A1 | N-Haloalkylindoline Intermediates, Their Process And Use In Preparation of Silodosin And its Derivatives | 20130409 |
US-2018111901-A1 | Novel Intermediates, their Process And Use In Preparation of Selective a1-Adrenoceptor Antagonists, Silodosin | 20130409 |
Complexity: | 506 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 348.1837780130001 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 348.1837780130001 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 53.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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