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CAS 19889-23-7 Continentalic acid molecular structure lightbox
CAS RN: 19889-23-7

Continentalic acid

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6 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251114 100mg Out of stock Inquiry
Batchno.20250612 10mg Out of stock Inquiry
Batchno.20260419 1mg Out of stock Inquiry
Batchno.20250612 25mg Out of stock Inquiry
Batchno.20250323 50mg Out of stock Inquiry
Batchno.20250429 5mg Out of stock Inquiry
  • Product code: starshine_CAS19889-23-7
  • Purity/Analytical Methods: >99.0%
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19889-23-7 / (4aR,4bR,7R,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene

Standard CAS: 19889-23-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19889-23-7
Multi CAS
No
Molecular Formula
C20H32
Molecular Weight
272.500000
Exact Mass
272.250401
SMILES
C[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(CCCC3(C)C)C)C=C
InChI
InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19+,20+/m1/s1
InChIKey
XDSYKASBVOZOAG-JYBIWHBTSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.8
Rotatable bonds
1
Molar refractivity
87.57
TPSA
0.0000

LogP / Solubility

WLOGP
6.14
MLOGP
5.41
XLogP3
7
Consensus LogP
6.18
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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