[email protected]
CAS 21778-81-4 5-Methoxy-1H-indole-2-carboxylic acid molecular structure lightbox
CAS RN: 21778-81-4

5-Methoxy-1H-indole-2-carboxylic acid

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251026 100mg In stock Shanghai Inquiry
Batchno.20250217 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250920 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260117 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260622 5g In stock Shanghai Inquiry
  • Product code: SSC-105125
GET A QUOTE
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
Request Bulk Quote

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 21778-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

21778-81-4 / 5-methoxy-1H-indole-2-carbaldehyde

Standard CAS: 21778-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21778-81-4
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
SMILES
COC1=CC2=C(C=C1)NC(=C2)C=O
InChI
InChI=1S/C10H9NO2/c1-13-9-2-3-10-7(5-9)4-8(6-12)11-10/h2-6,11H,1H3
InChIKey
IEHXXJMABHGXCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.24
TPSA
42.09

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us