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CAS 545-46-0 UVAOL molecular structure lightbox
CAS RN: 545-46-0

UVAOL

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS545-46-0
  • Purity/Analytical Methods: >99.0%
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545-46-0 / (3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol

Standard CAS: 545-46-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
545-46-0
Multi CAS
Yes
Molecular Formula
C30H50O2
Molecular Weight
442.700000
Exact Mass
442.381081
InChI
InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
InChIKey
XUARCIYIVXVTAE-ZAPOICBTSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
132.06
TPSA
40.46

LogP / Solubility

WLOGP
7
MLOGP
6.19
XLogP3
7.4
Consensus LogP
6.86
Log S (ESOL)
-6.93
Class (ESOL)
Insoluble
Log S (Ali)
-8.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.47
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)
-0.45

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
8.5

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