![CAS 128272-29-7 2-Naphthalenol, 6-BroMo-3-Tricyclo[3.3.1.13,7]Dec-1-Yl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/128272-29-7.gif)
CAS RN: 128272-29-7
2-Naphthalenol, 6-BroMo-3-Tricyclo[3.3.1.13,7]Dec-1-Yl-
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-035584
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
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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
128272-29-7 / 3-(1-adamantyl)-6-bromonaphthalen-2-ol
Basic Information
CAS
128272-29-7
Multi CAS
No
Molecular Formula
C20H21BrO
Molecular Weight
357.300000
Exact Mass
356.077580
SMILES
C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)Br)O
InChI
InChI=1S/C20H21BrO/c21-17-2-1-15-8-19(22)18(7-16(15)6-17)20-9-12-3-13(10-20)5-14(4-12)11-20/h1-2,6-8,12-14,22H,3-5,9-11H2
InChIKey
BLOOFHRWAOQRNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
93.16
TPSA
20.23
LogP / Solubility
WLOGP
5.78
MLOGP
5.1
XLogP3
6.9
Consensus LogP
5.93
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
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)
-0.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8
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