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CAS 1207194-48-6 1-Boc-4-forMylindoline molecular structure lightbox
CAS RN: 1207194-48-6

1-Boc-4-forMylindoline

  • Product code: SSC-021903
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1207194-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1207194-48-6 / tert-butyl 4-formyl-2,3-dihydroindole-1-carboxylate

1-BOC-4-FORMYLINDOLINE | tert-Butyl 4-formylindoline-1-carboxylate | MFCD14585005

Standard CAS: 1207194-48-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1207194-48-6
Multi CAS
Yes
Molecular Formula
C14H17NO3
Molecular Weight
247.290000
Exact Mass
247.120843
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C21)C=O
InChI
InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-8-7-11-10(9-16)5-4-6-12(11)15/h4-6,9H,7-8H2,1-3H3
InChIKey
FEAIDQMPFVVRKA-UHFFFAOYSA-N
Synonyms
1-BOC-4-FORMYLINDOLINE tert-Butyl 4-formylindoline-1-carboxylate MFCD14585005 tert-butyl 4-formyl-2,3-dihydroindole-1-carboxylate tert-Butyl 4-formyl-2,3-dihydro-1H-indole-1-carboxylate

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

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