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CAS 23787-90-8 Isolongifolone molecular structure lightbox
CAS RN: 23787-90-8

Isolongifolone

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251221 100g / 250g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260406 25g / 100g / 250g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS23787-90-8
  • Purity/Analytical Methods: >99.0%
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23787-90-8 / 2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one

Standard CAS: 23787-90-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23787-90-8
Multi CAS
No
Molecular Formula
C15H24O
Molecular Weight
220.350000
Exact Mass
220.182715
SMILES
CC1(CCC(=O)C2C13CCC(C3)C2(C)C)C
InChI
InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3
InChIKey
VCOCESNMLNDPLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.93
H-bond acceptors
1
Molar refractivity
65.07
TPSA
17.07

LogP / Solubility

WLOGP
3.82
MLOGP
3.36
XLogP3
4
Consensus LogP
3.73
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly 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)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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