![CAS 1001070-33-2 1-BENZENESULFONYL-5-BROMO-1H-PYRROLO[2,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8786333.gif)
CAS RN: 1001070-33-2
1-BENZENESULFONYL-5-BROMO-1H-PYRROLO[2,3-B]PYRIDINE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-000448
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 | Shanghai | Inquiry |
1001070-33-2 / 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine
1001070-33-2 | 1-Benzenesulfonyl-5-bromo-1H-pyrrolo[2,3-b]pyridine | 5-BROMO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE
Basic Information
CAS
1001070-33-2
Multi CAS
Yes
Molecular Formula
C13H9BrN2O2S
Molecular Weight
337.190000
Exact Mass
335.956810
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC(=CN=C32)Br
InChI
InChI=1S/C13H9BrN2O2S/c14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12/h1-9H
InChIKey
DWNWTAKXBHBRBH-UHFFFAOYSA-N
Synonyms
1001070-33-2
1-Benzenesulfonyl-5-bromo-1H-pyrrolo[2,3-b]pyridine
5-BROMO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE
MFCD08741546
1-(benzenesulfonyl)-5-bromo-1H-pyrrolo[2,3-b]pyridine
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
76.46
TPSA
51.96
LogP / Solubility
WLOGP
3.04
MLOGP
2.69
XLogP3
3.2
Consensus LogP
2.98
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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