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CAS 1167056-00-9 5-Methyl 1H-indole-6-carboxylic acid molecular structure lightbox
CAS RN: 1167056-00-9

5-Methyl 1H-indole-6-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260629 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-016645
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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 1167056-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1167056-00-9 / 5-methyl-1H-indole-6-carboxylic acid

5-methyl-1H-indole-6-carboxylic acid | 5-Methyl 1H-indole-6-carboxylic acid | 1H-Indole-6-carboxylic acid, 5-methyl-

Standard CAS: 1167056-00-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1167056-00-9
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
SMILES
CC1=CC2=C(C=C1C(=O)O)NC=C2
InChI
InChI=1S/C10H9NO2/c1-6-4-7-2-3-11-9(7)5-8(6)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKey
CROWWHBJJVXFRU-UHFFFAOYSA-N
Synonyms
5-methyl-1H-indole-6-carboxylic acid 5-Methyl 1H-indole-6-carboxylic acid 1H-Indole-6-carboxylic acid, 5-methyl- MFCD12405190 SCHEMBL25156000

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
50
TPSA
53.09

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
1.9
Consensus LogP
1.99
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.24

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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