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CAS 10242-02-1 5-METHYL-1H-INDOLE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 10242-02-1

5-METHYL-1H-INDOLE-3-CARBOXYLIC ACID

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250624 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260121 1g / 5g / 25g Out of stock 8-10 business days Inquiry
Batchno.20260202 250mg In stock Shanghai Inquiry
Batchno.20260105 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250226 5g In stock Shanghai Inquiry
  • Product code: SSC-003695
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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: 10g
  • 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 10242-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

10242-02-1 / 5-methyl-1H-indole-3-carboxylic acid

5-Methyl-1H-indole-3-carboxylic acid | DTXSID90593330 | RefChem:303988

Standard CAS: 10242-02-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10242-02-1
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
SMILES
CC1=CC2=C(C=C1)NC=C2C(=O)O
InChI
InChI=1S/C10H9NO2/c1-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKey
TZNAHYKFVSHGDA-UHFFFAOYSA-N
Synonyms
5-Methyl-1H-indole-3-carboxylic acid DTXSID90593330 RefChem:303988 DTXCID40544094 1H-Indole-3-carboxylic acid, 5-methyl-

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
2.4
Consensus LogP
2.16
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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