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CAS 5975-78-0 ZEARALANONE molecular structure lightbox
CAS RN: 5975-78-0

ZEARALANONE

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260222 1mg In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20251019 25mg Out of stock 5-7 business days Inquiry
Batchno.20251001 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS5975-78-0
  • Purity/Analytical Methods: >99.0%
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5975-78-0 / (4S)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione

Standard CAS: 5975-78-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5975-78-0
Multi CAS
Yes
Molecular Formula
C18H24O5
Molecular Weight
320.400000
Exact Mass
320.162374
InChI
InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1
InChIKey
APJDQUGPCJRQRJ-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.68
TPSA
83.83

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.9
Consensus LogP
3.5
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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)
-2.19

Drug-likeness / Medicinal Chemistry

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

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