![CAS 889939-26-8 4-BROMO-2-IODO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889939-26-8.gif)
CAS RN: 889939-26-8
4-BROMO-2-IODO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-200724
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 |
889939-26-8 / 1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine
Basic Information
CAS
889939-26-8
Multi CAS
Yes
Molecular Formula
C13H8BRIN2O2S
Molecular Weight
463.090000
Exact Mass
461.853460
InChI
InChI=1S/C13H8BrIN2O2S/c14-11-6-7-16-13-10(11)8-12(15)17(13)20(18,19)9-4-2-1-3-5-9/h1-8H
InChIKey
JVCKOYFZXMUSEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
89.18
TPSA
51.96
LogP / Solubility
WLOGP
3.64
MLOGP
3.24
XLogP3
3.9
Consensus LogP
3.59
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
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)
-2.96
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
1.5
Customers Also Viewed
-
![CAS 889939-41-7 6-BROMO-3H-IMIDAZO[4,5-B]PYRIDINE-5-CARBOXYLIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6-BROMO-3H-IMIDAZO[4,5-B]PYRIDINE-5-CARBOXYLIC ACID
- CAS RN: 889939-41-7
- Product Code: starshine_CAS889939-41-7
- Purity/Analytical method: >99.0%
-
-
7-CHLORO-2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-SULFONYL CHLORIDE
- CAS RN: 889939-46-2
- Product Code: SSC-200726
-
5-CHLORO-2-METHOXY-4-METHYLBENZENESULFONYL CHLORIDE
- CAS RN: 889939-48-4
- Product Code: SSC-200727
-
6-BOC-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID
- CAS RN: 889939-56-4
- Product Code: SSC-200728
-
1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid(SALTDATA: FREE)
- CAS RN: 889939-62-2
- Product Code: SSC-200729
![CAS 889939-41-7 6-BROMO-3H-IMIDAZO[4,5-B]PYRIDINE-5-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6340430.gif)
![CAS 889939-42-8 4-BROMO-7H-PYRROLO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889939-42-8.gif)
![CAS 889939-46-2 7-CHLORO-2,3-DIHYDRO-BENZO[1,4]DIOXINE-6-SULFONYL CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889939-46-2.gif)
![CAS 889939-56-4 6-BOC-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889939-56-4.gif)
