[email protected]
CAS 54954-12-0 norswertianolin molecular structure lightbox
CAS RN: 54954-12-0

norswertianolin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS54954-12-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

54954-12-0 / 1,3,5-trihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one

Standard CAS: 54954-12-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54954-12-0
Multi CAS
Yes
Molecular Formula
C19H18O11
Molecular Weight
422.300000
Exact Mass
422.084911
InChI
InChI=1S/C19H18O11/c20-5-11-14(24)16(26)17(27)19(30-11)29-9-2-1-7(22)18-13(9)15(25)12-8(23)3-6(21)4-10(12)28-18/h1-4,11,14,16-17,19-24,26-27H,5H2/t11-,14-,16+,17-,19-/m1/s1
InChIKey
MYWLBRTZOYHDOU-FJMCMGCSSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
14
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
11
H-bond donors
7
Molar refractivity
99.38
TPSA
190.28

LogP / Solubility

WLOGP
-0.76
MLOGP
-0.64
XLogP3
0.3
Consensus LogP
-0.37
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.83

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us