[email protected]
CAS 86940-46-7 Praeroside II molecular structure lightbox
CAS RN: 86940-46-7

Praeroside II

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251124 5mg Out of stock Inquiry
  • Product code: starshine_CAS86940-46-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

86940-46-7 / 10-hydroxy-8,8-dimethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dihydropyrano[2,3-f]chromen-2-one

Standard CAS: 86940-46-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86940-46-7
Multi CAS
Yes
Molecular Formula
C20H24O10
Molecular Weight
424.400000
Exact Mass
424.136947
InChI
InChI=1S/C20H24O10/c1-20(2)18(29-19-16(26)15(25)13(23)10(7-21)27-19)14(24)12-9(30-20)5-3-8-4-6-11(22)28-17(8)12/h3-6,10,13-16,18-19,21,23-26H,7H2,1-2H3/t10-,13-,14-,15+,16-,18-,19+/m1/s1
InChIKey
QAUDHOGPLBDVAX-GZFODPQLSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
5
Molar refractivity
100.79
TPSA
159.05

LogP / Solubility

WLOGP
-0.82
MLOGP
-0.69
XLogP3
-0.8
Consensus LogP
-0.77
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-5.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us