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CAS 170147-29-2 tert-Butyl 5-(benzyloxy)-1H-indole-1-carboxylate molecular structure lightbox
CAS RN: 170147-29-2

tert-Butyl 5-(benzyloxy)-1H-indole-1-carboxylate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251223 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260623 250mg In stock Tianjin, Chengdu Inquiry
Batchno.20250409 50mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20251224 5g In stock Shenzhen, Tianjin Inquiry
  • Product code: SSC-074751
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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: 5g
  • Available purity: ≥95%
  • 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 170147-29-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

170147-29-2 / tert-butyl 5-phenylmethoxyindole-1-carboxylate

Standard CAS: 170147-29-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170147-29-2
Multi CAS
No
Molecular Formula
C20H21NO3
Molecular Weight
323.400000
Exact Mass
323.152144
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C20H21NO3/c1-20(2,3)24-19(22)21-12-11-16-13-17(9-10-18(16)21)23-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKey
YCFZVONIZHVXGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
94.34
TPSA
40.46

LogP / Solubility

WLOGP
5
MLOGP
4.42
XLogP3
4.7
Consensus LogP
4.71
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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