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CAS 739365-06-1 4-METHOXY-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 739365-06-1

4-METHOXY-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID

  • Product code: SSC-183370
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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 739365-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

739365-06-1 / 4-methoxy-1-methylindole-2-carboxylic acid

Standard CAS: 739365-06-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
739365-06-1
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
InChI
InChI=1S/C11H11NO3/c1-12-8-4-3-5-10(15-2)7(8)6-9(12)11(13)14/h3-6H,1-2H3,(H,13,14)
InChIKey
IYZATCSNWKJWIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.43
TPSA
51.46

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
2
Consensus LogP
1.85
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

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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