[email protected]
CAS 63675-88-7 [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone molecular structure lightbox
CAS RN: 63675-88-7

[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250227 10mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS63675-88-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

63675-88-7 / [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone

Standard CAS: 63675-88-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63675-88-7
Multi CAS
Yes
Molecular Formula
C22H16O4S
Molecular Weight
376.400000
Exact Mass
376.076930
InChI
InChI=1S/C22H16O4S/c1-26-17-9-4-13(5-10-17)21(25)20-18-11-8-16(24)12-19(18)27-22(20)14-2-6-15(23)7-3-14/h2-12,23-24H,1H3
InChIKey
PYIMIJKXPOXOFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
107.02
TPSA
66.76

LogP / Solubility

WLOGP
5.22
MLOGP
4.61
XLogP3
5.2
Consensus LogP
5.01
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.92
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)
-1.31

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us