CAS RN: 911305-48-1
Imidodicarbonic acid,2-(6-bromo-1-isoquinolinyl)-,1,3-bis(1,1-dimethylethyl) ester
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.20260420 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-203977
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
911305-48-1 / tert-butyl N-(6-bromoisoquinolin-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Basic Information
CAS
911305-48-1
Multi CAS
No
Molecular Formula
BC19H23O4Rn2
Molecular Weight
423.300000
Exact Mass
422.084120
InChI
InChI=1S/C19H23BrN2O4/c1-18(2,3)25-16(23)22(17(24)26-19(4,5)6)15-14-8-7-13(20)11-12(14)9-10-21-15/h7-11H,1-6H3
InChIKey
OPIBVDODUWQCHY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
104.39
TPSA
68.73
LogP / Solubility
WLOGP
5.67
MLOGP
5.02
XLogP3
5
Consensus LogP
5.23
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.24
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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