[email protected]
CAS 889675-05-2 1-(4-(benzyloxy)-1-(phenylsulfonyl)-1H-indol-2-yl)ethanone molecular structure lightbox
CAS RN: 889675-05-2

1-(4-(benzyloxy)-1-(phenylsulfonyl)-1H-indol-2-yl)ethanone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250704 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS889675-05-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

889675-05-2 / 1-[1-(benzenesulfonyl)-4-phenylmethoxyindol-2-yl]ethanone

Standard CAS: 889675-05-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
889675-05-2
Multi CAS
No
Molecular Formula
C23H19NO4S
Molecular Weight
405.500000
Exact Mass
405.103479
InChI
InChI=1S/C23H19NO4S/c1-17(25)22-15-20-21(24(22)29(26,27)19-11-6-3-7-12-19)13-8-14-23(20)28-16-18-9-4-2-5-10-18/h2-15H,16H2,1H3
InChIKey
DYXUXCLRQONFQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
21
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
111.74
TPSA
65.37

LogP / Solubility

WLOGP
4.66
MLOGP
4.13
XLogP3
4.7
Consensus LogP
4.5
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us