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CAS 1360953-77-0 1H-Indole-7-carboxylic acid, 3-iodo- molecular structure lightbox
CAS RN: 1360953-77-0

1H-Indole-7-carboxylic acid, 3-iodo-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-044905
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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: ≥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 1360953-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1360953-77-0 / 3-iodo-1H-indole-7-carboxylic acid

Standard CAS: 1360953-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1360953-77-0
Multi CAS
No
Molecular Formula
C9H6INO2
Molecular Weight
287.050000
Exact Mass
286.944330
SMILES
C1=CC2=C(C(=C1)C(=O)O)NC=C2I
InChI
InChI=1S/C9H6INO2/c10-7-4-11-8-5(7)2-1-3-6(8)9(12)13/h1-4,11H,(H,12,13)
InChIKey
XPFPSGUINDMCAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
57.98
TPSA
53.09

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.2
Consensus LogP
2.28
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

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

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