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CAS 188293-70-1 8α-(2-Methylacryloyloxy)hirsutinolide molecular structure lightbox
CAS RN: 188293-70-1

8α-(2-Methylacryloyloxy)hirsutinolide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260409 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS188293-70-1
  • Purity/Analytical Methods: >99.0%
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188293-70-1 / [(1R,2E,8S,10R,11S)-11-hydroxy-6-(hydroxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate

Standard CAS: 188293-70-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188293-70-1
Multi CAS
No
Molecular Formula
C19H24O7
Molecular Weight
364.400000
Exact Mass
364.152203
SMILES
C[C@@H]1C[C@@H](C\2=C(C(=O)O/C2=C/[C@]3(CC[C@@]1(O3)O)C)CO)OC(=O)C(=C)C
InChI
InChI=1S/C19H24O7/c1-10(2)16(21)24-13-7-11(3)19(23)6-5-18(4,26-19)8-14-15(13)12(9-20)17(22)25-14/h8,11,13,20,23H,1,5-7,9H2,2-4H3/b14-8+/t11-,13+,18-,19+/m1/s1
InChIKey
VSNXXZXCVFUXKD-LYUOXOCJSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
2
Molar refractivity
90.44
TPSA
102.29

LogP / Solubility

WLOGP
1.5
MLOGP
1.34
XLogP3
1.3
Consensus LogP
1.38
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-3.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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