![CAS 645416-98-4 5′-Bromo-1′,2′-Dihydrospiro[Cyclohexane-1,3′-Indole] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/645416-98-4.gif)
CAS RN: 645416-98-4
5′-Bromo-1′,2′-Dihydrospiro[Cyclohexane-1,3′-Indole]
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.20260309 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: SSC-174285
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 | Shanghai | Inquiry |
645416-98-4 / 5-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
Basic Information
CAS
645416-98-4
Multi CAS
No
Molecular Formula
BC13H16Rn
Molecular Weight
266.180000
Exact Mass
265.046610
InChI
InChI=1S/C13H16BrN/c14-10-4-5-12-11(8-10)13(9-15-12)6-2-1-3-7-13/h4-5,8,15H,1-3,6-7,9H2
InChIKey
IZEPVDFSBBDDPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.39
TPSA
12.03
LogP / Solubility
WLOGP
4.08
MLOGP
3.6
XLogP3
4.5
Consensus LogP
4.06
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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