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CAS 1231208-53-9 4,8-Dihydroxyeudesm-7(11)-en-12,8-olide molecular structure lightbox
CAS RN: 1231208-53-9

4,8-Dihydroxyeudesm-7(11)-en-12,8-olide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1231208-53-9
  • Purity/Analytical Methods: >99.0%
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1231208-53-9 / (4aR,5R,8aR,9aS)-5,9a-dihydroxy-3,5,8a-trimethyl-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one

Standard CAS: 1231208-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1231208-53-9
Multi CAS
No
Molecular Formula
C15H22O4
Molecular Weight
266.330000
Exact Mass
266.151809
SMILES
CC1=C2C[C@@H]3[C@](CCC[C@@]3(C)O)(C[C@@]2(OC1=O)O)C
InChI
InChI=1S/C15H22O4/c1-9-10-7-11-13(2,5-4-6-14(11,3)17)8-15(10,18)19-12(9)16/h11,17-18H,4-8H2,1-3H3/t11-,13-,14-,15+/m1/s1
InChIKey
VMMYFJSUBISYEJ-NGFQHRJXSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.05
TPSA
66.76

LogP / Solubility

WLOGP
1.9
MLOGP
1.68
XLogP3
1.3
Consensus LogP
1.63
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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