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CAS 77308-48-6 1,1,4,4,7,7,10,10-Octamethyl-2,3,4,7,8,9,10,12-octahydro-1H-dibenzo[b,h]fluorene molecular structure lightbox
CAS RN: 77308-48-6

1,1,4,4,7,7,10,10-Octamethyl-2,3,4,7,8,9,10,12-octahydro-1H-dibenzo[b,h]fluorene

  • Product code: SSC-186794
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 77308-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

77308-48-6 / 5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene

Standard CAS: 77308-48-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77308-48-6
Multi CAS
Yes
Molecular Formula
C29H38
Molecular Weight
386.600000
Exact Mass
386.297351
InChI
InChI=1S/C29H38/c1-26(2)9-11-28(5,6)24-16-20-18(14-22(24)26)13-19-15-23-25(17-21(19)20)29(7,8)12-10-27(23,3)4/h14-17H,9-13H2,1-8H3
InChIKey
JFZKLFKSJQUIBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.59
Molar refractivity
125.26
TPSA
0.0000

LogP / Solubility

WLOGP
7.96
MLOGP
7.02
XLogP3
9.8
Consensus LogP
8.26
Log S (ESOL)
-7.56
Class (ESOL)
Insoluble
Log S (Ali)
-8.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.57

Drug-likeness / Medicinal Chemistry

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

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