![CAS 1059630-11-3 1H-Pyrido[4,3-b]indole, 6-bromo-2,3,4,5-tetrahydro-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1059630-11-3.gif)
CAS RN: 1059630-11-3
1H-Pyrido[4,3-b]indole, 6-bromo-2,3,4,5-tetrahydro-, hydrochloride (1:1)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-007599
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1059630-11-3 / 6-bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
1h-pyrido(4,3-b)indole, 6-bromo-2,3,4,5-tetrahydro-, hcl salt | 1H-pyrido[4,3-b]indole, 6-bromo-2,3,4,5-tetrahydro-, HCl salt | RefChem:439156
Basic Information
CAS
1059630-11-3
Multi CAS
No
Molecular Formula
C11H12BrClN2
Molecular Weight
287.580000
Exact Mass
285.987240
SMILES
C1CNCC2=C1NC3=C2C=CC=C3Br.Cl
InChI
InChI=1S/C11H11BrN2.ClH/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9;/h1-3,13-14H,4-6H2;1H
InChIKey
RIOARCKAKZEZCG-UHFFFAOYSA-N
Synonyms
1h-pyrido(4,3-b)indole, 6-bromo-2,3,4,5-tetrahydro-, hcl salt
1H-pyrido[4,3-b]indole, 6-bromo-2,3,4,5-tetrahydro-, HCl salt
RefChem:439156
823-979-3
6-Bromo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
H-bond acceptors
1
H-bond donors
2
Molar refractivity
68.66
TPSA
27.82
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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