CAS RN: 33627-41-7

inulicin

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8 package records4 with current stock1 grade group
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Batchno.20250712 100mg Out of stock Inquiry
Batchno.20251019 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS33627-41-7
  • Purity/Analytical Methods: >99.0%
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33627-41-7 / 3-(4-hydroxy-5,7-dimethyl-3-methylidene-2-oxo-4,5,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)propyl acetate

Standard CAS: 33627-41-7 Multi CAS: Yes

Basic Information

CAS
33627-41-7
Multi CAS
Yes
Molecular Formula
C17H24O5
Molecular Weight
308.400000
Exact Mass
308.162374
InChI
InChI=1S/C17H24O5/c1-9(6-5-7-21-12(4)18)14-10(2)8-13-15(16(14)19)11(3)17(20)22-13/h9,13,15-16,19H,3,5-8H2,1-2,4H3/t9-,13+,15+,16+/m0/s1
InChIKey
QKUFZFLZBUSEHN-CZLJMHDISA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.65
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.86
TPSA
72.83

LogP / Solubility

WLOGP
2.14
MLOGP
1.9
XLogP3
1.4
Consensus LogP
1.81
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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