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CAS 1394156-45-6 8α-Hydroxyhirsutinolide molecular structure lightbox
CAS RN: 1394156-45-6

8α-Hydroxyhirsutinolide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260530 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1394156-45-6
  • Purity/Analytical Methods: >99.0%
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1394156-45-6 / (1R,2E,8S,10R,11S)-8,11-dihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-5-one

Standard CAS: 1394156-45-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394156-45-6
Multi CAS
No
Molecular Formula
C15H20O6
Molecular Weight
296.310000
Exact Mass
296.125988
SMILES
C[C@@H]1C[C@@H](C\2=C(C(=O)O/C2=C/[C@]3(CC[C@@]1(O3)O)C)CO)O
InChI
InChI=1S/C15H20O6/c1-8-5-10(17)12-9(7-16)13(18)20-11(12)6-14(2)3-4-15(8,19)21-14/h6,8,10,16-17,19H,3-5,7H2,1-2H3/b11-6+/t8-,10+,14-,15+/m1/s1
InChIKey
HGVUPZFNJFDVQM-HEQUYQGPSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
71.75
TPSA
96.22

LogP / Solubility

WLOGP
0.37
MLOGP
0.34
XLogP3
-0.2
Consensus LogP
0.17
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-4.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
8

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