![CAS 196203-96-0 tert-butyl 7-bromo-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/196203-96-0.gif)
CAS RN: 196203-96-0
tert-butyl 7-bromo-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate
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.20250821 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-092698
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 |
196203-96-0 / tert-butyl 7-bromo-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
Basic Information
CAS
196203-96-0
Multi CAS
No
Molecular Formula
C16H19BrN2O2
Molecular Weight
351.240000
Exact Mass
350.062990
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)NC3=C2C=CC(=C3)Br
InChI
InChI=1S/C16H19BrN2O2/c1-16(2,3)21-15(20)19-7-6-12-11-5-4-10(17)8-13(11)18-14(12)9-19/h4-5,8,18H,6-7,9H2,1-3H3
InChIKey
KHGVHXBAVPSADH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
86.35
TPSA
45.33
LogP / Solubility
WLOGP
4.22
MLOGP
3.73
XLogP3
3.5
Consensus LogP
3.82
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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