[email protected]
CAS 97411-47-7 Cistanoside F molecular structure lightbox
CAS RN: 97411-47-7

Cistanoside F

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250727 1mg Out of stock Inquiry
Batchno.20250503 5mg Out of stock Inquiry
  • Product code: starshine_CAS97411-47-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

97411-47-7 / [(2R,3R,4R,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Standard CAS: 97411-47-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97411-47-7
Multi CAS
Yes
Molecular Formula
C21H28O13
Molecular Weight
488.400000
Exact Mass
488.152991
InChI
InChI=1S/C21H28O13/c1-8-14(26)15(27)16(28)21(31-8)34-19-17(29)20(30)32-12(7-22)18(19)33-13(25)5-3-9-2-4-10(23)11(24)6-9/h2-6,8,12,14-24,26-30H,7H2,1H3/b5-3+/t8-,12+,14-,15+,16+,17+,18+,19+,20+,21-/m0/s1
InChIKey
IDVRYIVYDAOHSS-AEPDZKQJSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
8
Molar refractivity
109.89
TPSA
215.83

LogP / Solubility

WLOGP
-2.69
MLOGP
-2.34
XLogP3
-2.3
Consensus LogP
-2.44
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-7.61

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

Customers Also Viewed

Get In Touch

Contact Us