JQ 1(+)

CAS Registry Number®

1268524-70-4

CAS Name

JQ 1(+)

Molecular Formula

C23H25ClN4O2S

Molecular Mass

456.99

Cite this Page

JQ 1(+).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1268524-70-4 (retrieved 2024-11-24) (CAS RN: 1268524-70-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1

InChIKey

InChIKey=DNVXATUJJDPFDM-KRWDZBQOSA-N

SMILES

CC=1C2=C(N3C([C@H](CC(OC(C)(C)C)=O)N=C2C4=CC=C(Cl)C=C4)=NN=C3C)SC1C

Canonical SMILES

O=C(OC(C)(C)C)CC1N=C(C=2C=CC(Cl)=CC2)C3=C(SC(=C3C)C)N4C(=NN=C41)C

Other Names for this Substance

  • 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, 1,1-dimethylethyl ester, (6S)-
  • 1,1-Dimethylethyl (6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetate
  • (+)-JQ 1
  • JQ 1
  • (S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate

View All

CAS INSIGHTSTM
Hourglass and a clock