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CAS 511-28-4 VitaMin D4 molecular structure lightbox
CAS RN: 511-28-4

VitaMin D4

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260623 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS511-28-4
  • Purity/Analytical Methods: >99.0%
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511-28-4 / (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Standard CAS: 511-28-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
511-28-4
Multi CAS
Yes
Molecular Formula
C28H46O
Molecular Weight
398.700000
Exact Mass
398.354866
InChI
InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
InChIKey
DIPPFEXMRDPFBK-JPWDPSJFSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.79
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
125.74
TPSA
20.23

LogP / Solubility

WLOGP
7.87
MLOGP
6.95
XLogP3
8.2
Consensus LogP
7.67
Log S (ESOL)
-6.87
Class (ESOL)
Insoluble
Log S (Ali)
-8.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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