![CAS 1431719-88-8 6-chloro-3-iodo-1-trityl-1H-pyrazolo[4,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1431719-88-8.gif)
CAS RN: 1431719-88-8
6-chloro-3-iodo-1-trityl-1H-pyrazolo[4,3-c]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.20260418 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-054504
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 | Hong Kong | Inquiry |
1431719-88-8 / 6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
Basic Information
CAS
1431719-88-8
Multi CAS
No
Molecular Formula
C25H17ClIN3
Molecular Weight
521.800000
Exact Mass
521.015570
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C5=CC(=NC=C5C(=N4)I)Cl
InChI
InChI=1S/C25H17ClIN3/c26-23-16-22-21(17-28-23)24(27)29-30(22)25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey
FCONEXKZUYAZQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
27
Fraction Csp3
0.04
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
129.86
TPSA
30.71
LogP / Solubility
WLOGP
6.53
MLOGP
5.78
XLogP3
6.9
Consensus LogP
6.4
Log S (ESOL)
-7.59
Class (ESOL)
Insoluble
Log S (Ali)
-8.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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