![CAS 875781-45-6 2-bromo-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875781-45-6.gif)
CAS RN: 875781-45-6
2-bromo-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
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.20260327 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-197709
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 | Shenzhen | Inquiry |
875781-45-6 / 2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
Basic Information
CAS
875781-45-6
Multi CAS
No
Molecular Formula
C13H9BRIN3O2S
Molecular Weight
478.100000
Exact Mass
476.864360
InChI
InChI=1S/C13H9BrIN3O2S/c1-8-2-4-9(5-3-8)21(19,20)18-7-10(15)12-13(18)16-6-11(14)17-12/h2-7H,1H3
InChIKey
QONWBLJGJMTBKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
91.71
TPSA
64.85
LogP / Solubility
WLOGP
3.34
MLOGP
2.98
XLogP3
3.5
Consensus LogP
3.27
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
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)
-3.26
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
2.5
Customers Also Viewed
-
-
-
4-Chlorothieno[3,2-d]pyriMidine-6-carbonitrile
- CAS RN: 875798-54-2
- Product Code: SSC-197714
-
3-(4-AMINO-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 875798-79-1
- Product Code: SSC-197715
-
Carbamic acid, N-[5-(2-aminoethyl)-2-thiazolyl]-, 1,1-dimethylethyl ester
- CAS RN: 875798-81-5
- Product Code: SSC-197716
-
2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-nitro-
- CAS RN: 875816-94-7
- Product Code: starshine_CAS875816-94-7
- Purity/Analytical method: >99.0%
![CAS 875798-54-2 4-Chlorothieno[3,2-d]pyriMidine-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875798-54-2.gif)
![CAS 875798-81-5 Carbamic acid, N-[5-(2-aminoethyl)-2-thiazolyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875798-81-5.gif)
