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CAS 152204-32-5 Phomaligol A molecular structure lightbox
CAS RN: 152204-32-5

Phomaligol A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260430 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS152204-32-5
  • Purity/Analytical Methods: >99.0%
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152204-32-5 / [(1R,5R)-5-hydroxy-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl] (2S)-2-methylbutanoate

Standard CAS: 152204-32-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152204-32-5
Multi CAS
No
Molecular Formula
C14H20O6
Molecular Weight
284.300000
Exact Mass
284.125988
SMILES
CC[C@H](C)C(=O)O[C@@]1(C(=O)C=C([C@@](C1=O)(C)O)OC)C
InChI
InChI=1S/C14H20O6/c1-6-8(2)11(16)20-14(4)9(15)7-10(19-5)13(3,18)12(14)17/h7-8,18H,6H2,1-5H3/t8-,13+,14+/m0/s1
InChIKey
DWJRXSZPSOQYDZ-MCCGJVOXSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.64
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
69.68
TPSA
89.9

LogP / Solubility

WLOGP
0.77
MLOGP
0.69
XLogP3
1.1
Consensus LogP
0.85
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-3.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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