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CAS 174539-67-4 1-BOC-2,3-DIHYDRO-7-INDOLECARBALDEHYDE molecular structure lightbox
CAS RN: 174539-67-4

1-BOC-2,3-DIHYDRO-7-INDOLECARBALDEHYDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250305 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-076560
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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: ≥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 174539-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

174539-67-4 / tert-butyl 7-formyl-2,3-dihydroindole-1-carboxylate

Standard CAS: 174539-67-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
174539-67-4
Multi CAS
No
Molecular Formula
C14H17NO3
Molecular Weight
247.290000
Exact Mass
247.120843
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C(=CC=C2)C=O
InChI
InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-8-7-10-5-4-6-11(9-16)12(10)15/h4-6,9H,7-8H2,1-3H3
InChIKey
KUYIMEZLCAWOMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
69.11
TPSA
46.61

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
2.2
Consensus LogP
2.49
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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