![CAS 744209-37-8 3-broMo-2-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2.3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/744209-37-8.gif)
CAS RN: 744209-37-8
3-broMo-2-Methyl-1-(phenylsulfonyl)-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.20251022 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-183887
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 |
744209-37-8 / 1-(benzenesulfonyl)-3-bromo-2-methylpyrrolo[2,3-b]pyridine
Basic Information
CAS
744209-37-8
Multi CAS
No
Molecular Formula
BC14H11O2Rn2S
Molecular Weight
351.220000
Exact Mass
349.972460
InChI
InChI=1S/C14H11BrN2O2S/c1-10-13(15)12-8-5-9-16-14(12)17(10)20(18,19)11-6-3-2-4-7-11/h2-9H,1H3
InChIKey
FALZHLDFXNLJAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
81.2
TPSA
51.96
LogP / Solubility
WLOGP
3.34
MLOGP
2.96
XLogP3
3.6
Consensus LogP
3.3
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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