CAS RN: 1190847-04-1
5-Iodo-1H-indole-3-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250711 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-019528
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1190847-04-1 / 5-iodo-1H-indole-3-carboxylic acid
5-IODO-1H-INDOLE-3-CARBOXYLIC ACID | MFCD15474905 | SCHEMBL4234237
Basic Information
CAS
1190847-04-1
Multi CAS
No
Molecular Formula
C9H6INO2
Molecular Weight
287.050000
Exact Mass
286.944330
SMILES
C1=CC2=C(C=C1I)C(=CN2)C(=O)O
InChI
InChI=1S/C9H6INO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)
InChIKey
ALHAYYZMAAKVSE-UHFFFAOYSA-N
Synonyms
5-IODO-1H-INDOLE-3-CARBOXYLIC ACID
MFCD15474905
SCHEMBL4234237
ALHAYYZMAAKVSE-UHFFFAOYSA-N
AKOS037645628
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
2.6
Consensus LogP
2.42
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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