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CAS 1125-31-1 3-Methyl-4-hydroxy-1H-indole molecular structure lightbox
CAS RN: 1125-31-1

3-Methyl-4-hydroxy-1H-indole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250324 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-012896
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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 1125-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1125-31-1 / 3-methyl-1H-indol-4-ol

3-Methyl-1H-indol-4-ol | DTXSID80343447 | RefChem:1068179

Standard CAS: 1125-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1125-31-1
Multi CAS
No
Molecular Formula
C9H9NO
Molecular Weight
147.170000
Exact Mass
147.068414
SMILES
CC1=CNC2=C1C(=CC=C2)O
InChI
InChI=1S/C9H9NO/c1-6-5-10-7-3-2-4-8(11)9(6)7/h2-5,10-11H,1H3
InChIKey
RYRARARYUZMODI-UHFFFAOYSA-N
Synonyms
3-Methyl-1H-indol-4-ol DTXSID80343447 RefChem:1068179 DTXCID80294526 3-Methyl-4-hydroxy-1H-indole

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
H-bond donors
2
Molar refractivity
44.7
TPSA
36.02

LogP / Solubility

WLOGP
2.18
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.07

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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