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CAS 25990-37-8 nimbolide molecular structure lightbox
CAS RN: 25990-37-8

nimbolide

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251108 100mg In stock Shanghai Inquiry
Batchno.20250131 10mg In stock Shanghai Inquiry
Batchno.20251219 250mg In stock Shanghai Inquiry
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Batchno.20250804 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS25990-37-8
  • Purity/Analytical Methods: >99.0%
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25990-37-8 / methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

Standard CAS: 25990-37-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
25990-37-8
Multi CAS
Yes
Molecular Formula
C27H30O7
Molecular Weight
466.500000
Exact Mass
466.199153
InChI
InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3
InChIKey
JZIQWNPPBKFOPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
5
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
119.39
TPSA
92.04

LogP / Solubility

WLOGP
3.74
MLOGP
3.33
XLogP3
2.2
Consensus LogP
3.09
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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