CAS RN: 258515-65-0
TERT-BUTYL 7-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251123 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250402 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250825 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251202 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260620 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251112 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250531 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250922 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-122482
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 0.25g, 100g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 3 In Stock | Shenzhen | Inquiry |
258515-65-0 / tert-butyl 7-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate
Basic Information
CAS
258515-65-0
Multi CAS
No
Molecular Formula
C14H18BrNO2
Molecular Weight
312.200000
Exact Mass
311.052090
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)Br
InChI
InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-7-6-10-4-5-12(15)8-11(10)9-16/h4-5,8H,6-7,9H2,1-3H3
InChIKey
PWPKRLMPHNRWHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
74.49
TPSA
29.54
LogP / Solubility
WLOGP
3.74
MLOGP
3.31
XLogP3
3.3
Consensus LogP
3.45
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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