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CAS 19500-05-1 6-METHOXY-7-METHYLINDOLE molecular structure lightbox
CAS RN: 19500-05-1

6-METHOXY-7-METHYLINDOLE

  • Product code: SSC-091965
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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 19500-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

19500-05-1 / 6-methoxy-7-methyl-1H-indole

Standard CAS: 19500-05-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19500-05-1
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
SMILES
CC1=C(C=CC2=C1NC=C2)OC
InChI
InChI=1S/C10H11NO/c1-7-9(12-2)4-3-8-5-6-11-10(7)8/h3-6,11H,1-2H3
InChIKey
WUDWEEBAUNNAIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.59
TPSA
25.02

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
2.4
Consensus LogP
2.35
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-1.94

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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