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CAS 88206-51-3 Anhydro notoptol molecular structure lightbox
CAS RN: 88206-51-3

Anhydro notoptol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250721 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS88206-51-3
  • Purity/Analytical Methods: >99.0%
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88206-51-3 / 4-[(2E,5E)-3,7-dimethylocta-2,5,7-trienoxy]furo[3,2-g]chromen-7-one

Standard CAS: 88206-51-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88206-51-3
Multi CAS
Yes
Molecular Formula
C21H20O4
Molecular Weight
336.400000
Exact Mass
336.136159
InChI
InChI=1S/C21H20O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h4-5,7-10,12-13H,1,6,11H2,2-3H3/b5-4+,15-9+
InChIKey
SFUVOLKWTCFJSX-YUQKSTFXSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
13
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
100.08
TPSA
52.58

LogP / Solubility

WLOGP
5.39
MLOGP
4.76
XLogP3
5.8
Consensus LogP
5.32
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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