![CAS 1445993-86-1 4-bromo-1-tosyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1445993-86-1.gif)
CAS RN: 1445993-86-1
4-bromo-1-tosyl-1H-pyrrolo[2,3-c]pyridin-7(6H)-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260614 | 100mg / 250mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-055806
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1445993-86-1 / 4-bromo-1-(4-methylphenyl)sulfonyl-6H-pyrrolo[2,3-c]pyridin-7-one
Basic Information
CAS
1445993-86-1
Multi CAS
No
Molecular Formula
C14H11BrN2O3S
Molecular Weight
367.220000
Exact Mass
365.967380
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C(=O)NC=C3Br
InChI
InChI=1S/C14H11BrN2O3S/c1-9-2-4-10(5-3-9)21(19,20)17-7-6-11-12(15)8-16-14(18)13(11)17/h2-8H,1H3,(H,16,18)
InChIKey
IUXIDYNEPFEKIS-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
H-bond donors
1
Molar refractivity
84.02
TPSA
71.93
LogP / Solubility
WLOGP
2.64
MLOGP
2.34
XLogP3
2.4
Consensus LogP
2.46
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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