[email protected]
CAS 55511-17-6 Schisandrolic acid molecular structure lightbox
CAS RN: 55511-17-6

Schisandrolic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS55511-17-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

55511-17-6 / (Z,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylhept-2-enoic acid

Standard CAS: 55511-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55511-17-6
Multi CAS
No
Molecular Formula
C30H48O3
Molecular Weight
456.700000
Exact Mass
456.360345
InChI
InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/b20-9-/t19-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1
InChIKey
CYHOTEDWAOHQLA-DZQGXPSPSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
132.68
TPSA
57.53

LogP / Solubility

WLOGP
7.23
MLOGP
6.4
XLogP3
8.5
Consensus LogP
7.38
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-8.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us