![CAS 1241675-24-0 5-chloro-3-iodo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1241675-24-0.gif)
CAS RN: 1241675-24-0
5-chloro-3-iodo-1-(4-methylbenzenesulfonyl)-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.20250220 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-027946
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 | Shanghai | Inquiry |
1241675-24-0 / 5-chloro-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
Basic Information
CAS
1241675-24-0
Multi CAS
No
Molecular Formula
C14H10ClIN2O2S
Molecular Weight
432.700000
Exact Mass
431.919620
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)Cl)I
InChI
InChI=1S/C14H10ClIN2O2S/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18/h2-8H,1H3
InChIKey
NJVXZTXQZUABTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
91.22
TPSA
51.96
LogP / Solubility
WLOGP
3.84
MLOGP
3.41
XLogP3
4.1
Consensus LogP
3.78
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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