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CAS 21778-77-8 5-Methoxy-1H-indole-2-Methanol molecular structure lightbox
CAS RN: 21778-77-8

5-Methoxy-1H-indole-2-Methanol

  • Product code: SSC-105124
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 21778-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

21778-77-8 / (5-methoxy-1H-indol-2-yl)methanol

Standard CAS: 21778-77-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21778-77-8
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
COC1=CC2=C(C=C1)NC(=C2)CO
InChI
InChI=1S/C10H11NO2/c1-13-9-2-3-10-7(5-9)4-8(6-12)11-10/h2-5,11-12H,6H2,1H3
InChIKey
RYLKQWQEKIQUMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.77
TPSA
45.25

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.2
Consensus LogP
1.45
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.62

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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