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CAS 107438-79-9 Ginkgolide J molecular structure lightbox
CAS RN: 107438-79-9

Ginkgolide J

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 100mg In stock Shanghai Inquiry
Batchno.20251204 10mg In stock Shanghai Inquiry
Batchno.20250320 250mg Out of stock Inquiry
Batchno.20250209 25mg In stock Shanghai Inquiry
Batchno.20260103 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 10mg In stock Shanghai Inquiry
  • Product code: starshine_CAS107438-79-9
  • Purity/Analytical Methods: >99.0%
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107438-79-9 / (1R,3R,6R,7S,8S,9R,10S,11S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

SCHEMBL21753454 | CID 24721483 | DB-040756

Standard CAS: 107438-79-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107438-79-9
Multi CAS
Yes
Molecular Formula
C20H24O10
Molecular Weight
424.400000
Exact Mass
424.136947
SMILES
C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@]3(C2)[C@@]6([C@@H]([C@H]5O)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O
InChI
InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11-,15+,17-,18+,19-,20-/m1/s1
InChIKey
LMEHVEUFNRJAAV-UKWFQYJJSA-N
Synonyms
SCHEMBL21753454 CID 24721483 DB-040756 L000810

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
10
H-bond donors
3
Molar refractivity
92.01
TPSA
148.82

LogP / Solubility

WLOGP
-1.37
MLOGP
-1.18
XLogP3
-0.4
Consensus LogP
-0.98
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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