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CAS 79498-31-0 glaucocalyxin A molecular structure lightbox
CAS RN: 79498-31-0

glaucocalyxin A

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 25mg / 100mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 100mg Out of stock Inquiry
Batchno.20251010 10mg In stock Shanghai Inquiry
Batchno.20250429 25mg In stock Shanghai Inquiry
Batchno.20251105 50mg In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS79498-31-0
  • Purity/Analytical Methods: >99.0%
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79498-31-0 / (2R,4S,9R,10S)-2,16-dihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-6,15-dione

Standard CAS: 79498-31-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79498-31-0
Multi CAS
Yes
Molecular Formula
C20H28O4
Molecular Weight
332.400000
Exact Mass
332.198759
InChI
InChI=1S/C20H28O4/c1-10-11-5-6-12-19(4)8-7-14(21)18(2,3)13(19)9-15(22)20(12,16(10)23)17(11)24/h11-13,15,17,22,24H,1,5-9H2,2-4H3/t11-,12-,13+,15+,17+,19-,20-/m0/s1
InChIKey
UCDVIBNDYLUWFP-MJTHGBBVSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
89.04
TPSA
74.6

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
1.7
Consensus LogP
2
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

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
9.5

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