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CAS 90582-44-8 Sorghumol molecular structure lightbox
CAS RN: 90582-44-8

Sorghumol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250225 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS90582-44-8
  • Purity/Analytical Methods: >99.0%
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90582-44-8 / 3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol

Standard CAS: 90582-44-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
90582-44-8
Multi CAS
Yes
Molecular Formula
C30H50O
Molecular Weight
426.700000
Exact Mass
426.386166
InChI
InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3
InChIKey
VWYANPOOORUCFJ-UHFFFAOYSA-N

Physical Properties

Melting Point
192 - 193 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
130.65
TPSA
20.23

LogP / Solubility

WLOGP
8.02
MLOGP
7.09
XLogP3
9
Consensus LogP
8.04
Log S (ESOL)
-7.48
Class (ESOL)
Insoluble
Log S (Ali)
-8.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.21
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
8

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