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CAS 21598-06-1 5-Hydroxyindole-2-carboxylic acid molecular structure lightbox
CAS RN: 21598-06-1

5-Hydroxyindole-2-carboxylic acid

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 1g In stock Inquiry
Batchno.20250527 250mg In stock Inquiry
Batchno.20260510 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-103514
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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: 5g
  • 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 21598-06-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

21598-06-1 / 5-hydroxy-1H-indole-2-carboxylic acid

Standard CAS: 21598-06-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21598-06-1
Multi CAS
No
Molecular Formula
C9H7NO3
Molecular Weight
177.160000
Exact Mass
177.042593
SMILES
C1=CC2=C(C=C1O)C=C(N2)C(=O)O
InChI
InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)
InChIKey
BIMHWDJKNOMNLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
46.92
TPSA
73.32

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
2
Consensus LogP
1.65
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.68

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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