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CAS 1125-40-2 5-HYDROXY-3-METHYLINDOLE molecular structure lightbox
CAS RN: 1125-40-2

5-HYDROXY-3-METHYLINDOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-012899
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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: ＞97%
  • 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 1125-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1125-40-2 / 3-methyl-1H-indol-5-ol

2-Methyl-1H-indol-5-ol | EINECS 236-345-0 | DTXSID10157978

Standard CAS: 1125-40-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1125-40-2
Multi CAS
Yes
Molecular Formula
C9H9NO
Molecular Weight
147.170000
Exact Mass
147.068414
SMILES
CC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C9H9NO/c1-6-5-10-9-3-2-7(11)4-8(6)9/h2-5,10-11H,1H3
InChIKey
NPHFOFOYWYLBTF-UHFFFAOYSA-N
Synonyms
2-Methyl-1H-indol-5-ol EINECS 236-345-0 DTXSID10157978 RefChem:88022 DTXCID9080469

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
1.3
Consensus LogP
1.8
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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