CAS RN: 914349-37-4
1-Boc-3-bromo-7-nitroindole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
- Product code: SSC-204553
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
914349-37-4 / tert-butyl 3-bromo-7-nitroindole-1-carboxylate
Basic Information
CAS
914349-37-4
Multi CAS
No
Molecular Formula
BC13H13O4Rn2
Molecular Weight
341.160000
Exact Mass
340.005870
InChI
InChI=1S/C13H13BrN2O4/c1-13(2,3)20-12(17)15-7-9(14)8-5-4-6-10(11(8)15)16(18)19/h4-7H,1-3H3
InChIKey
RHYXXCHHJCQANV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
77.92
TPSA
74.37
LogP / Solubility
WLOGP
4.1
MLOGP
3.62
XLogP3
3.8
Consensus LogP
3.84
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89
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
-
3-BROMO-7-METHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 914349-39-6
- Product Code: SSC-204554
-
-
5-M-TOLYLPYRIMIDIN-2-YLAMINE
- CAS RN: 914349-42-1
- Product Code: starshine_CAS914349-42-1
- Purity/Analytical method: >99.0%
-
[2-(2-methyl-1H-imidazol-1-yl)phenyl]methanol
- CAS RN: 914349-47-6
- Product Code: SSC-204556
-
(2-[1,2,4]TRIAZOL-1-YL-PHENYL)METHANOL
- CAS RN: 914349-48-7
- Product Code: starshine_CAS914349-48-7
- Purity/Analytical method: >99.0%
-
2-(4-N-Ethylpiperazinyl)benzyl alcohol
- CAS RN: 914349-49-8
- Product Code: starshine_CAS914349-49-8
- Purity/Analytical method: >99.0%
![CAS 914349-47-6 [2-(2-methyl-1H-imidazol-1-yl)phenyl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914349-47-6.gif)
![CAS 914349-48-7 (2-[1,2,4]TRIAZOL-1-YL-PHENYL)METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914349-48-7.gif)
