![CAS 1638761-42-8 3-Bromo-6-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638761-42-8.gif)
CAS RN: 1638761-42-8
3-Bromo-6-chloro-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.20250216 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-071341
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 | Hong Kong | Inquiry |
1638761-42-8 / 1-(benzenesulfonyl)-3-bromo-6-chloropyrrolo[2,3-b]pyridine
Basic Information
CAS
1638761-42-8
Multi CAS
No
Molecular Formula
C13H8BrClN2O2S
Molecular Weight
371.640000
Exact Mass
369.917840
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=C(C=C3)Cl)Br
InChI
InChI=1S/C13H8BrClN2O2S/c14-11-8-17(13-10(11)6-7-12(15)16-13)20(18,19)9-4-2-1-3-5-9/h1-8H
InChIKey
MYRJTSAMCKBFCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
81.47
TPSA
51.96
LogP / Solubility
WLOGP
3.69
MLOGP
3.27
XLogP3
4.1
Consensus LogP
3.69
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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)
-2.37
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
-
2,2-Difluorocyclobutan-1-amine hydrochloride
- CAS RN: 1638761-45-1
- Product Code: SSC-071343
-
Cis-4-Fluoro-3-Methoxypyrrolidine Hydrochloride
- CAS RN: 1638761-46-2
- Product Code: SSC-071344
-
tert-Butyl(3-ethynylbicyclo[1.1.1]pentan-1-yl)carbamate
- CAS RN: 1638761-54-2
- Product Code: SSC-071345
-
5-bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
- CAS RN: 1638761-56-4
- Product Code: SSC-071346
-
-
![CAS 1638761-54-2 tert-Butyl(3-ethynylbicyclo[1.1.1]pentan-1-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638761-54-2.gif)
![CAS 1638761-56-4 5-bromo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638761-56-4.gif)
