[email protected]
CAS 481-18-5 A-SPINASTEROL molecular structure lightbox
CAS RN: 481-18-5

A-SPINASTEROL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250508 5mg Out of stock Inquiry
  • Product code: starshine_CAS481-18-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

481-18-5 / (3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Standard CAS: 481-18-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
481-18-5
Multi CAS
Yes
Molecular Formula
C29H48O
Molecular Weight
412.700000
Exact Mass
412.370516
InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey
JZVFJDZBLUFKCA-UZSYLJJSSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
128.12
TPSA
20.23

LogP / Solubility

WLOGP
7.8
MLOGP
6.89
XLogP3
8.3
Consensus LogP
7.66
Log S (ESOL)
-6.98
Class (ESOL)
Insoluble
Log S (Ali)
-8.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.42
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)
0.3

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
7.5

Customers Also Viewed

Get In Touch

Contact Us