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CAS 19407-28-4 1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene molecular structure lightbox
CAS RN: 19407-28-4

1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 2mg / 5mg / 10mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS19407-28-4
  • Purity/Analytical Methods: >99.0%
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19407-28-4 / (4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene

Standard CAS: 19407-28-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19407-28-4
Multi CAS
No
Molecular Formula
C20H30
Molecular Weight
270.500000
Exact Mass
270.234751
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CCCC([C@@H]3CC2)(C)C)C
InChI
InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3
InChIKey
QUUCYKKMFLJLFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
1
Molar refractivity
87.33
TPSA
0.0000

LogP / Solubility

WLOGP
5.84
MLOGP
5.15
XLogP3
7.1
Consensus LogP
6.03
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.39
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)
-0.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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