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CAS 881041-42-5 6-ISOPROPOXY-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 881041-42-5

6-ISOPROPOXY-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER

  • Product code: SSC-198565
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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 881041-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

881041-42-5 / methyl 6-propan-2-yloxy-1H-indole-2-carboxylate

Standard CAS: 881041-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881041-42-5
Multi CAS
No
Molecular Formula
C13H15NO3
Molecular Weight
233.260000
Exact Mass
233.105193
InChI
InChI=1S/C13H15NO3/c1-8(2)17-10-5-4-9-6-12(13(15)16-3)14-11(9)7-10/h4-8,14H,1-3H3
InChIKey
WNVUZWHANZCUOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.4
TPSA
51.32

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
3.2
Consensus LogP
2.79
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

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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