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CAS 36151-01-6 7,8-Dihydrovomifoliol molecular structure lightbox
CAS RN: 36151-01-6

7,8-Dihydrovomifoliol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS36151-01-6
  • Purity/Analytical Methods: >99.0%
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36151-01-6 / 4-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one

Standard CAS: 36151-01-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36151-01-6
Multi CAS
Yes
Molecular Formula
C13H22O3
Molecular Weight
226.310000
Exact Mass
226.156895
InChI
InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3/t10-,13-/m1/s1
InChIKey
CWOFGGNDZOPNFG-ZWNOBZJWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.77
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.03
TPSA
57.53

LogP / Solubility

WLOGP
1.82
MLOGP
1.61
XLogP3
0.8
Consensus LogP
1.41
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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