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CAS 885270-00-8 Tert-butyl 5-(aminomethyl)indoline-1-carboxylate molecular structure lightbox
CAS RN: 885270-00-8

Tert-butyl 5-(aminomethyl)indoline-1-carboxylate

  • Product code: SSC-199289
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 885270-00-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

885270-00-8 / tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate

Standard CAS: 885270-00-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885270-00-8
Multi CAS
Yes
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16/h4-5,8H,6-7,9,15H2,1-3H3
InChIKey
GTEVTJRBLUFOKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.62
TPSA
55.56

LogP / Solubility

WLOGP
2.44
MLOGP
2.16
XLogP3
1.6
Consensus LogP
2.07
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

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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