![CAS 1059630-12-4 6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1059630-12-4.gif)
CAS RN: 1059630-12-4
6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]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.20260227 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-007600
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 |
1059630-12-4 / 6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole | MFCD29923356 | SCHEMBL3310317
Basic Information
CAS
1059630-12-4
Multi CAS
No
Molecular Formula
C11H13BrN2
Molecular Weight
253.140000
Exact Mass
252.026210
SMILES
C1CNCC2C1NC3=C2C=CC=C3Br
InChI
InChI=1S/C11H13BrN2/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9/h1-3,8,10,13-14H,4-6H2
InChIKey
LPBJHSPFSUDRSY-UHFFFAOYSA-N
Synonyms
6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
MFCD29923356
SCHEMBL3310317
(4AS,9BR)-6-BROMO-1H,2H,3H,4H,4AH,5H,9BH-PYRIDO[4,3-B]INDOLE
SCHEMBL13330120
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.78
TPSA
24.06
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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