CAS RN: 475102-10-4
1-BOC-5-CYANOINDOLE
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-154478
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: 25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
475102-10-4 / tert-butyl 5-cyanoindole-1-carboxylate
Basic Information
CAS
475102-10-4
Multi CAS
Yes
Molecular Formula
C14H14N2O2
Molecular Weight
242.270000
Exact Mass
242.105528
InChI
InChI=1S/C14H14N2O2/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16/h4-8H,1-3H3
InChIKey
OYPSWAHXXPMBGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
68.29
TPSA
55.02
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
3
Consensus LogP
3.07
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
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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5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-ylboronic acid
- CAS RN: 475102-13-7
- Product Code: SSC-154481
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