![CAS 597554-76-2 10,15-Dihydro-5,5,10,10,15,15-hexamethyl-5H-tribenzo[a,f,k]trindene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4753-jpgcontextbwfzdgvyfhjvb3r8ntm0nzd8aw1hz2uvanblz3xoztcvadnhlzg5mzazmdy0mjq4njivrdq3ntmuanbnfdbkmzfizgvhogrindkyywq5nwe0mgu0mjdimtqwnzrkyzljnja3ngzlntg0yjhhmtrlyznhmthhnwe1nwmzyjc.jpeg)
CAS RN: 597554-76-2
10,15-Dihydro-5,5,10,10,15,15-hexamethyl-5H-tribenzo[a,f,k]trindene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260226 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTD4753
- Purity/Analytical Methods: >98.0%(HPLC)
597554-76-2 / 9,9,18,18,27,27-hexamethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
Basic Information
CAS
597554-76-2
Multi CAS
No
Molecular Formula
C33H30
Molecular Weight
426.600000
Exact Mass
426.234751
InChI
InChI=1S/C33H30/c1-31(2)22-16-10-7-13-19(22)25-28(31)26-20-14-8-11-17-23(20)32(3,4)30(26)27-21-15-9-12-18-24(21)33(5,6)29(25)27/h7-18H,1-6H3
InChIKey
IZSZGRWXUIXAQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.27
Molar refractivity
139.13
TPSA
0.0000
LogP / Solubility
WLOGP
8.61
MLOGP
7.6
XLogP3
9.4
Consensus LogP
8.54
Log S (ESOL)
-8.44
Class (ESOL)
Insoluble
Log S (Ali)
-9.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.58
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)
0.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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