![CAS 1040682-76-5 5-CHLORO-4-IODO-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1040682-76-5.gif)
CAS RN: 1040682-76-5
5-CHLORO-4-IODO-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE
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.20250311 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-005834
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1040682-76-5 / (5-chloro-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
5-Chloro-4-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine | MFCD09965903 | (5-chloro-4-iodo-pyrrolo[2,3-b]pyridin-1-yl)-triisopropyl-silane
Basic Information
CAS
1040682-76-5
Multi CAS
No
Molecular Formula
C16H24ClIN2Si
Molecular Weight
434.820000
Exact Mass
434.044200
SMILES
CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C(=CN=C21)Cl)I
InChI
InChI=1S/C16H24ClIN2Si/c1-10(2)21(11(3)4,12(5)6)20-8-7-13-15(18)14(17)9-19-16(13)20/h7-12H,1-6H3
InChIKey
HTFCCIPFRUUSTD-UHFFFAOYSA-N
Synonyms
5-Chloro-4-iodo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
MFCD09965903
(5-chloro-4-iodo-pyrrolo[2,3-b]pyridin-1-yl)-triisopropyl-silane
(5-chloro-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SCHEMBL4345235
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
103.91
TPSA
17.82
LogP / Solubility
WLOGP
6.32
MLOGP
5.59
XLogP3
6.32
Consensus LogP
6.08
Log S (ESOL)
-6.57
Class (ESOL)
Insoluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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