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CAS 168899-63-6 1-Methylindoline-4-carboxylic acid molecular structure lightbox
CAS RN: 168899-63-6

1-Methylindoline-4-carboxylic acid

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250531 1g Out of stock Inquiry
Batchno.20250112 250mg Out of stock Inquiry
  • Product code: SSC-073592
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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: 0.25g
  • 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 168899-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

168899-63-6 / 1-methyl-2,3-dihydroindole-4-carboxylic acid

Standard CAS: 168899-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168899-63-6
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
CN1CCC2=C(C=CC=C21)C(=O)O
InChI
InChI=1S/C10H11NO2/c1-11-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-4H,5-6H2,1H3,(H,12,13)
InChIKey
QOLDZPOZKZZFOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.38
TPSA
40.54

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.6
Consensus LogP
1.4
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-2.82

Drug-likeness / Medicinal Chemistry

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

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