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CAS 1969289-10-8 Glabralide A molecular structure lightbox
CAS RN: 1969289-10-8

Glabralide A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250424 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1969289-10-8
  • Purity/Analytical Methods: >99.0%
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1969289-10-8 / (2,4-dihydroxy-3,6-dimethoxyphenyl)-(5-methyl-3-phenyl-7-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)methanone

Standard CAS: 1969289-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1969289-10-8
Multi CAS
No
Molecular Formula
C27H32O5
Molecular Weight
436.500000
Exact Mass
436.224974
SMILES
CC1=CC2C(CC1C(C2C(=O)C3=C(C=C(C(=C3O)OC)O)OC)C4=CC=CC=C4)C(C)C
InChI
InChI=1S/C27H32O5/c1-14(2)17-12-18-15(3)11-19(17)23(22(18)16-9-7-6-8-10-16)25(29)24-21(31-4)13-20(28)27(32-5)26(24)30/h6-11,13-14,17-19,22-23,28,30H,12H2,1-5H3
InChIKey
FETNSTFTPNSDGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
123.56
TPSA
75.99

LogP / Solubility

WLOGP
5.57
MLOGP
4.93
XLogP3
5.7
Consensus LogP
5.4
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.43

Drug-likeness / Medicinal Chemistry

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

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