![CAS 144970-36-5 Tricyclo[3.3.1.13,7]decane, 1,3,5,7-tetrakis(4-bromophenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/144970-36-5.png)
CAS RN: 144970-36-5
Tricyclo[3.3.1.13,7]decane, 1,3,5,7-tetrakis(4-bromophenyl)-
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-056356
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: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
144970-36-5 / 1,3,5,7-tetrakis(4-bromophenyl)adamantane
Basic Information
CAS
144970-36-5
Multi CAS
No
Molecular Formula
C34H28Br4
Molecular Weight
756.200000
Exact Mass
755.888350
SMILES
C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)C6=CC=C(C=C6)Br)C7=CC=C(C=C7)Br
InChI
InChI=1S/C34H28Br4/c35-27-9-1-23(2-10-27)31-17-32(24-3-11-28(36)12-4-24)20-33(18-31,25-5-13-29(37)14-6-25)22-34(19-31,21-32)26-7-15-30(38)16-8-26/h1-16H,17-22H2
InChIKey
SBWXPELEFUNJFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
4
Molar refractivity
170.98
TPSA
0.0000
LogP / Solubility
WLOGP
11.17
MLOGP
9.9
XLogP3
12.6
Consensus LogP
11.22
Log S (ESOL)
-11.77
Class (ESOL)
Insoluble
Log S (Ali)
-13.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.33
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.6
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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