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CAS 35910-16-8 Pterosin A molecular structure lightbox
CAS RN: 35910-16-8

Pterosin A

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Batch No.PackageAvailabilityInquiry
Batchno.20250806 1mg Out of stock Inquiry
  • Product code: starshine_CAS35910-16-8
  • Purity/Analytical Methods: >99.0%
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35910-16-8 / (2S)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one

Standard CAS: 35910-16-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35910-16-8
Multi CAS
Yes
Molecular Formula
C15H20O3
Molecular Weight
248.320000
Exact Mass
248.141245
InChI
InChI=1S/C15H20O3/c1-9-6-11-7-15(3,8-17)14(18)13(11)10(2)12(9)4-5-16/h6,16-17H,4-5,7-8H2,1-3H3/t15-/m0/s1
InChIKey
BDZJLPDYMKPKGC-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.93
TPSA
57.53

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
2.2
Consensus LogP
1.72
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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