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CAS 143246-41-7 Microstegiol molecular structure lightbox
CAS RN: 143246-41-7

Microstegiol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250814 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS143246-41-7
  • Purity/Analytical Methods: >99.0%
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143246-41-7 / (1S)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one

Standard CAS: 143246-41-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143246-41-7
Multi CAS
No
Molecular Formula
C20H26O2
Molecular Weight
298.400000
Exact Mass
298.193280
SMILES
CC1=C2CCCC([C@@]3(C2=C(C=C1)C=C(C3=O)C(C)C)O)(C)C
InChI
InChI=1S/C20H26O2/c1-12(2)16-11-14-9-8-13(3)15-7-6-10-19(4,5)20(22,17(14)15)18(16)21/h8-9,11-12,22H,6-7,10H2,1-5H3/t20-/m0/s1
InChIKey
KIXMQGXACFNMEM-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
89.62
TPSA
37.3

LogP / Solubility

WLOGP
4.17
MLOGP
3.68
XLogP3
4.8
Consensus LogP
4.22
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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