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CAS 928771-49-7 2,3-DIHYDRO-INDOLE-1,6-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 6-METHYL ESTER molecular structure lightbox
CAS RN: 928771-49-7

2,3-DIHYDRO-INDOLE-1,6-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 6-METHYL ESTER

  • Product code: SSC-206757
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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: ≥95%
  • Inventory rows with stock: 4
  • 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 928771-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

928771-49-7 / 1-O-tert-butyl 6-O-methyl 4-methoxy-2,3-dihydroindole-1,6-dicarboxylate

Standard CAS: 928771-49-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
928771-49-7
Multi CAS
Yes
Molecular Formula
C16H21NO5
Molecular Weight
307.340000
Exact Mass
307.141973
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-8-7-10-5-6-11(9-12(10)16)13(17)19-4/h5-6,9H,7-8H2,1-4H3
InChIKey
NAMYXEGXVXXICU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
81.62
TPSA
65.07

LogP / Solubility

WLOGP
2.78
MLOGP
2.46
XLogP3
2.5
Consensus LogP
2.58
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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